Accuracy

phenol, 2-((phenylimino)methyl)-, n-oxide   1276 Phenol, 2-[(phenylimino)methyl]-, N-oxide

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    #  Species Formula
  1266 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1267 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1268 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1270 1-Nitroso-2-naphthalenolC10H7NO2
  1271 1-Nitroso-4-naphthalenolC10H7NO2
  1272 2-Nitroso-1-naphthalenolC10H7NO2
  1273 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1274 1-NitroadamantaneC10H15NO2
  1275 2-NitroadamantaneC10H15NO2
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxide C13H11NO2
  1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  1278 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1279 NH2-NO2 (Geo)H2N2O2
  1280 OxalamideC2H4N2O2
  1281 HCONH2-HCONH2 (Geo)C2H6N2O2
  1282 N-NitrodimethylamineC2H6N2O2
  1283 Acetyl-ureaC3H6N2O2
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2
  1286 UracilC4H4N2O2


ΔHf: 12.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Phenol, 2-[(phenylimino)methyl]-, N-oxide
 H=12.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39420332 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39224613 +1  120.1310305 +1    0.0000000 +0     2     1     0
  C     1.39785473 +1  118.9911640 +1    0.6379903 +1     3     2     1
  C     1.39788790 +1  121.4026505 +1   -1.6995503 +1     4     3     2
  C     1.39206110 +1  118.8167868 +1    1.6265509 +1     5     4     3
  N     1.44834639 +1  118.1109599 +1 -178.6791317 +1     4     3     5
  C     1.31386340 +1  121.5384915 +1 -142.0508726 +1     7     4     3
  C     1.44989881 +1  128.3194572 +1  179.7332200 +1     8     7     4
  C     1.40660519 +1  126.7157298 +1   27.4283733 +1     9     8     7
  C     1.41282069 +1  121.4124412 +1  176.9877217 +1    10     9     8
  C     1.37896979 +1  119.5423143 +1    0.4430497 +1    11    10     9
  C     1.40419084 +1  120.1276302 +1    0.1239225 +1    12    11    10
  C     1.38248151 +1  120.0797180 +1   -0.4842051 +1    13    12    11
  O     1.27158993 +1  113.5494504 +1  179.0447089 +1     7     4     8
  O     1.33344396 +1  124.1325952 +1 -177.6268467 +1    10     9    11
  H     1.08966278 +1  119.8692986 +1 -179.9921068 +1     1     2     3
  H     1.08996695 +1  120.0708303 +1 -179.6830866 +1     2     1     3
  H     1.09468200 +1  121.0781867 +1 -179.3930366 +1     3     2     4
  H     1.08986611 +1  121.1338727 +1 -178.8918043 +1     5     4     6
  H     1.08962640 +1  119.7657951 +1  179.8992471 +1     6     5     4
  H     1.10217272 +1  117.1255380 +1 -178.1267121 +1     8     7     9
  H     1.08803268 +1  118.4200877 +1  179.9428498 +1    11    10    12
  H     1.08964539 +1  120.3381599 +1  179.8532481 +1    12    11    13
  H     1.08589175 +1  119.5711999 +1  179.9828404 +1    13    12    14
  H     1.09064341 +1  119.3334222 +1  179.9933434 +1    14    13    12
  H     1.03593311 +1  110.8972119 +1  -23.6183255 +1    16    10     9