Accuracy

2,4,6-trimethylbenzonitrile, n-oxide    997 2,4,6-Trimethylbenzonitrile, N-oxide

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    #  Species Formula
   987 2,4,6-TrimethylnitrosobenzeneC9H11NO
   988 N,N-Dimethyl benzamideC9H11NO
   989 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   990 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   991 2-Methyl-4-hydroxyquinolineC10H9NO
   992 2-Methyl-8-quinolinolC10H9NO
   993 3-Methyl-5-phenyl isoxazoleC10H9NO
   994 4-Methyl-2-hydroxyquinolineC10H9NO
   995 5-Methyl-3-phenyl isoxazoleC10H9NO
   996 beta-CyanopropiophenoneC10H9NO
   997 2,4,6-Trimethylbenzonitrile, N-oxide C10H11NO
   998 2-(Dimethylamino)-acetophenoneC10H13NO
   999 N,N,4-Trimethyl benzamideC10H13NO
  1000 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1001 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1002 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1003 1-AdamantanecarboxamideC11H17NO
  1004 N,N-DimethylnonamideC11H23NO
  1005 PhenoxazineC12H9NO
  1006 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1007 9,10-Dihydro-9-oxoacridineC13H9NO


ΔHf: 32.7 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
2,4,6-Trimethylbenzonitrile, N-oxide
 H=32.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39311620 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39651254 +1  120.4335126 +1    0.0000000 +0     2     1     0
  C     1.39548114 +1  119.9276280 +1    0.0025654 +1     3     2     1
  C     1.39390390 +1  120.4381805 +1   -0.0473832 +1     4     3     2
  C     1.40596390 +1  119.5629660 +1    0.1000047 +1     5     4     3
  N     2.56485674 +1  119.9526165 +1  179.7356115 +1     6     5     4
  O     1.19215705 +1  159.5139322 +1  179.7495434 +1     7     5     6
  C     1.49018175 +1  120.2164965 +1 -179.9244301 +1     1     2     3
  H     1.08708074 +1  119.8430456 +1  179.9352653 +1     2     1     3
  C     1.49095322 +1  119.7216128 +1  179.4717067 +1     3     2     4
  H     1.08714281 +1  119.7835781 +1  179.9671040 +1     4     3     5
  C     1.49013221 +1  120.2030629 +1  179.8517793 +1     5     4     6
  H     1.10129669 +1  111.1973839 +1  118.7068991 +1     9     1     2
  H     1.10115041 +1  111.3083422 +1  119.3316709 +1     9     1    14
  H     1.09803736 +1  112.8535482 +1  120.3681797 +1     9     1    15
  H     1.09806635 +1  112.8473031 +1    2.5794428 +1    13     5     4
  H     1.10132401 +1  111.1728332 +1 -120.3459946 +1    13     5    17
  H     1.10117352 +1  111.3425455 +1 -119.3132738 +1    13     5    18
  C     1.15811060 +1    0.0868947 +1   91.7159431 +1     7     6     5
  H     1.10120520 +1  110.7372661 +1  -76.0251922 +1    11     3     2
  H     1.09942736 +1  111.8684839 +1  119.4385255 +1    11     3    21
  H     1.09823510 +1  112.7333652 +1  120.6147490 +1    11     3    22