Accuracy

1-propanone, 2-(dimethylamino)-1-phenyl-   1001 1-Propanone, 2-(dimethylamino)-1-phenyl-

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    #  Species Formula
   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-oxideC10H11NO
   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-oxideC13H11NO
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO


ΔHf: -16.7 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
1-Propanone, 2-(dimethylamino)-1-phenyl-
 H=-16.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.47701986 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47997482 +1  113.0534953 +1    0.0000000 +0     2     1     0
  C     1.54041386 +1  106.4230186 +1  -71.3233585 +1     3     2     1
  C     1.48143797 +1  117.1711855 +1  -86.2498769 +1     4     3     2
  C     1.39442768 +1  120.7238844 +1   44.5850736 +1     5     4     3
  C     1.39276415 +1  119.6646699 +1  179.3696926 +1     6     5     4
  C     1.39431754 +1  120.0101370 +1    0.1622693 +1     7     6     5
  C     1.39437453 +1  120.2115125 +1   -0.6002252 +1     8     7     6
  C     1.39304310 +1  119.9497900 +1    0.0709883 +1     9     8     7
  C     1.47862327 +1  110.5837251 +1  125.4922857 +1     2     1     3
  C     1.53164050 +1  116.4552099 +1  121.9483799 +1     3     2     4
  O     1.20499286 +1  121.1700551 +1 -177.9797217 +1     4     3     5
  H     1.09959844 +1  114.5605879 +1  -70.4676718 +1     1     2     3
  H     1.10497281 +1  109.8246556 +1  121.6435412 +1     1     2    14
  H     1.10292137 +1  108.3434829 +1  116.8586580 +1     1     2    15
  H     1.12405405 +1  107.3191557 +1  122.2768673 +1     3     2    12
  H     1.09438577 +1  119.9184296 +1 -179.2166963 +1     6     5     7
  H     1.08761035 +1  119.8970189 +1 -179.8988726 +1     7     6     8
  H     1.08833014 +1  119.8972025 +1 -179.7156031 +1     8     7     9
  H     1.08765310 +1  120.0632223 +1 -179.5715164 +1     9     8    10
  H     1.09098416 +1  120.5004115 +1 -178.6818010 +1    10     9     8
  H     1.10224929 +1  109.4155193 +1  175.4222038 +1    11     2     1
  H     1.09993285 +1  114.5118455 +1  122.0564554 +1    11     2    23
  H     1.10321230 +1  108.6453949 +1  121.1933819 +1    11     2    24
  H     1.09596712 +1  111.2038922 +1  172.1230381 +1    12     3     2
  H     1.09957830 +1  111.4295643 +1  118.9680000 +1    12     3    26
  H     1.09412222 +1  111.5868515 +1  120.6646263 +1    12     3    27