Accuracy

methyl neopentyl ketone    782 Methyl neopentyl ketone

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    #  Species Formula
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O
   776 TetrahydropyranC5H10O
   777 t-Butyl methyl etherC5H12O
   778 Phenoxy, anionC6H5O
   779 PhenolC6H6O
   780 4-Methyl-3-penten-2-oneC6H10O
   781 CyclohexanoneC6H10O
   782 Methyl neopentyl ketone C6H12O
   783 Di-isopropyl etherC6H14O
   784 BenzaldehydeC7H6O
   785 AnisoleC7H8O
   786 m-CresolC7H8O
   787 o-CresolC7H8O
   788 p-CresolC7H8O
   789 2-Methyl-5-hexen-3-yn-2-olC7H10O
   790 2-NorbornanoneC7H10O
   791 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   792 Norbornan-7-oneC7H10O


ΔHf: -76.6 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
Methyl neopentyl ketone
 H=-76.6 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20537873 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50283053 +1  120.2666271 +1    0.0000000 +0     2     1     0
  C     1.53260474 +1  121.0466646 +1 -179.6248419 +1     2     1     3
  C     1.53229322 +1  109.3660683 +1  127.2421592 +1     4     2     1
  C     1.53282058 +1  108.1847463 +1  120.8704173 +1     4     2     5
  C     1.53211233 +1  108.8238028 +1  119.3209462 +1     4     2     6
  H     1.09428418 +1  113.3178471 +1  155.1624364 +1     3     2     1
  H     1.09996114 +1  109.9785148 +1  120.7260379 +1     3     2     8
  H     1.10012867 +1  110.8095297 +1  117.5940363 +1     3     2     9
  H     1.09630968 +1  111.3918055 +1  -57.5047588 +1     5     4     2
  H     1.09487484 +1  112.0806171 +1  120.8937749 +1     5     4    11
  H     1.09643913 +1  110.8988851 +1  119.8166231 +1     5     4    12
  H     1.09458029 +1  112.2949200 +1  -65.4019954 +1     6     4     2
  H     1.09722100 +1  111.2597653 +1  120.9800226 +1     6     4    14
  H     1.09658590 +1  110.8721607 +1  119.1638248 +1     6     4    15
  H     1.09827512 +1  111.1398154 +1  -59.0650875 +1     7     4     2
  H     1.09712585 +1  111.2980929 +1  118.4304336 +1     7     4    17
  H     1.09373698 +1  111.6918323 +1  120.8758851 +1     7     4    18