Accuracy

1-propanone, 2-(diethylamino)-1-phenyl-   1009 1-Propanone, 2-(diethylamino)-1-phenyl-

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    #  Species Formula
   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
  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
  1019 (1-Methylpropyl) ureaC5H12N2O


ΔHf: -29.7 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-(diethylamino)-1-phenyl-
 H=-29.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53595905 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.48384030 +1  107.9140744 +1    0.0000000 +0     2     1     0
  C     1.47717254 +1  113.7918773 +1  112.5154043 +1     3     2     1
  C     1.53965953 +1  107.3102098 +1  -59.1357513 +1     4     3     2
  C     1.48110825 +1  118.1434733 +1  -79.6907454 +1     5     4     3
  C     1.39473577 +1  121.4770797 +1   34.6790709 +1     6     5     4
  C     1.39273947 +1  119.7875313 +1  179.0114010 +1     7     6     5
  C     1.39435074 +1  120.0223583 +1    0.1736352 +1     8     7     6
  C     1.39439245 +1  120.1804878 +1   -0.4771347 +1     9     8     7
  C     1.39267943 +1  119.9245334 +1    0.0579573 +1    10     9     8
  O     1.20649698 +1  120.5644423 +1 -177.9017403 +1     5     4     6
  C     1.53292238 +1  116.0967429 +1  122.4746509 +1     4     3     5
  C     1.48280208 +1  112.8938955 +1  128.7106771 +1     3     2     4
  C     1.53456756 +1  109.0177284 +1   73.0839425 +1    14     3     2
  H     1.09755633 +1  111.0566439 +1  -59.2227019 +1     1     2     3
  H     1.09546671 +1  111.1629010 +1  118.9436717 +1     1     2    16
  H     1.09372904 +1  111.0377847 +1  120.9481202 +1     1     2    17
  H     1.11308592 +1  109.5017633 +1  122.0832247 +1     2     1     3
  H     1.10945876 +1  109.9144487 +1  116.0465632 +1     2     1    19
  H     1.12514718 +1  106.9586189 +1  121.7346921 +1     4     3    13
  H     1.09556170 +1  119.9909503 +1 -179.0410251 +1     7     6     8
  H     1.08754568 +1  119.8659922 +1 -179.8987153 +1     8     7     9
  H     1.08836460 +1  119.9247802 +1 -179.7557823 +1     9     8    10
  H     1.08753564 +1  120.0799558 +1 -179.6536669 +1    10     9    11
  H     1.09188532 +1  120.4857933 +1 -178.8349520 +1    11    10     9
  H     1.09663844 +1  111.0677875 +1  177.1419398 +1    13     4     3
  H     1.09864750 +1  111.5874229 +1  118.5544217 +1    13     4    27
  H     1.09354360 +1  111.6500681 +1  120.9139594 +1    13     4    28
  H     1.11273476 +1  108.8609682 +1  118.9783979 +1    14     3    15
  H     1.11061977 +1  112.6889240 +1  118.2111888 +1    14     3    30
  H     1.09511863 +1  111.8003262 +1  -67.6370108 +1    15    14     3
  H     1.09793250 +1  110.7011227 +1  119.2125677 +1    15    14    32
  H     1.09371355 +1  111.0097128 +1  120.0812901 +1    15    14    33