Accuracy

benzenamine, n-(phenylmethylene)-, n-oxide   1008 Benzenamine, N-(phenylmethylene)-, N-oxide

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    #  Species Formula
   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
  1008 Benzenamine, N-(phenylmethylene)-, N-oxide C13H11NO
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1012 Nitrous oxide (Geo)N2O
  1013 Nitrous oxideN2O
  1014 UreaCH4N2O
  1015 N-Methyl ureaC2H6N2O
  1016 Dimethyl furazanC4H6N2O
  1017 IsopropylureaC4H10N2O
  1018 5-Amino-3,4-dimethylisoxazoleC5H8N2O


ΔHf: 62.9 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
Benzenamine, N-(phenylmethylene)-, N-oxide
 H=62.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39397488 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39235308 +1  120.0909831 +1    0.0000000 +0     2     1     0
  C     1.39840938 +1  119.9358885 +1   -0.2718069 +1     3     2     1
  C     1.39825323 +1  119.9251117 +1    1.0325416 +1     4     3     2
  C     1.39224310 +1  119.8602647 +1   -1.0440379 +1     5     4     3
  C     1.45953625 +1  120.8634321 +1  178.5760774 +1     4     3     5
  N     1.31650765 +1  124.0533574 +1   58.1867664 +1     7     4     3
  C     1.45324355 +1  122.4953428 +1    3.1131432 +1     8     7     4
  C     1.39652819 +1  118.2378299 +1 -130.9255367 +1     9     8     7
  C     1.39231058 +1  118.8973044 +1  179.5614761 +1    10     9     8
  C     1.39442911 +1  120.1677420 +1    0.8064649 +1    11    10     9
  C     1.39473351 +1  120.3511048 +1    0.5254809 +1    12    11    10
  C     1.39211455 +1  120.1768550 +1   -0.6656687 +1    13    12    11
  O     1.24742947 +1  122.4470611 +1 -179.8119306 +1     8     7     9
  H     1.08764762 +1  119.9639231 +1  179.8104652 +1     1     2     3
  H     1.08831998 +1  120.0253872 +1  179.9382563 +1     2     1     3
  H     1.08842650 +1  120.0750886 +1  179.9310224 +1     3     2     4
  H     1.08874473 +1  119.9052356 +1 -179.7847014 +1     5     4     6
  H     1.08820796 +1  119.9058617 +1 -179.6752857 +1     6     5     4
  H     1.09515102 +1  117.1871767 +1 -178.6649176 +1     7     4     8
  H     1.09250127 +1  120.0488737 +1  179.4558473 +1    10     9    11
  H     1.08934819 +1  119.7928890 +1  179.7030021 +1    11    10    12
  H     1.08944521 +1  119.8596857 +1  179.6104633 +1    12    11    13
  H     1.08930945 +1  120.0888794 +1  179.9877495 +1    13    12    14
  H     1.09103507 +1  120.4470645 +1  179.7707911 +1    14    13    12