Accuracy

n-ethyl m-toluidine    552 N-Ethyl m-toluidine

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    #  Species Formula
   542 n-OctylamineC8H19N
   543 IsoquinolineC9H7N
   544 QuinolineC9H7N
   545 2,6-DimethylbenzonitrileC9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N
   550 N,N-Dimethyl m-toluidineC9H13N
   551 N,N-Dimethyl p-toluidineC9H13N
   552 N-Ethyl m-toluidine C9H13N
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinolineC9H17N
   555 2,2,6,6-Tetramethyl piperidineC9H19N
   556 2-Methyl-quinolineC10H9N
   557 4-Methyl-quinolineC10H9N
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanideC10H11N
   562 N,N-Diethyl anilineC10H15N


ΔHf: 7.3 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
N-Ethyl m-toluidine
 H=7.29 HR=NIST
  C    -0.06882963 +1  -0.04245792 +1  -0.26143857 +1
  C     0.51909512 +1   1.21482774 +1  -0.04843738 +1
  C     1.86659670 +1   1.29975747 +1   0.30044806 +1
  C     2.62978387 +1   0.14099352 +1   0.45687656 +1
  C     2.04329483 +1  -1.10606164 +1   0.24985091 +1
  C     0.70608595 +1  -1.21159847 +1  -0.10496172 +1
  N    -1.38643863 +1  -0.18563379 +1  -0.72137186 +1
  C    -2.37624253 +1   0.85943168 +1  -0.42297436 +1
  C    -2.76185552 +1   0.91301115 +1   1.05985496 +1
  C     2.49083840 +1   2.64049084 +1   0.50749044 +1
  H    -0.06370181 +1   2.12128236 +1  -0.16650594 +1
  H     3.67490014 +1   0.20881222 +1   0.73763214 +1
  H     2.64182511 +1  -2.00942575 +1   0.36985301 +1
  H     0.26079874 +1  -2.18685133 +1  -0.26803046 +1
  H    -1.76635275 +1  -1.12454945 +1  -0.64964666 +1
  H    -1.98352228 +1   1.84467389 +1  -0.75969652 +1
  H    -3.27473419 +1   0.65433552 +1  -1.05003958 +1
  H    -3.23078677 +1  -0.01910476 +1   1.39216744 +1
  H    -1.87970845 +1   1.07822578 +1   1.69198479 +1
  H    -3.46607431 +1   1.72761183 +1   1.25736249 +1
  H     2.37018113 +1   3.27807133 +1  -0.38058106 +1
  H     2.02981775 +1   3.16791800 +1   1.35495126 +1
  H     3.56784508 +1   2.57687353 +1   0.71409378 +1