Accuracy

2-(diethylamino)-1-phenylethanone   1006 2-(Diethylamino)-1-phenylethanone

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    #  Species Formula
   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-phenylethanone C12H17NO
  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


ΔHf: -23.0 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-(Diethylamino)-1-phenylethanone
 H=-23.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53078342 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.20638673 +1  119.5152393 +1    0.0000000 +0     2     1     0
  C     1.48247576 +1  118.6084170 +1 -175.5128523 +1     2     1     3
  C     1.39569992 +1  118.4622429 +1  116.1741620 +1     4     2     1
  C     1.39267078 +1  119.6184366 +1 -179.6220015 +1     5     4     2
  C     1.39471650 +1  120.0374866 +1   -0.7836371 +1     6     5     4
  C     1.39359276 +1  120.1412010 +1   -0.1213686 +1     7     6     5
  C     1.39371814 +1  120.0186440 +1    0.5486977 +1     8     7     6
  N     1.47569485 +1  108.6660673 +1 -124.4191118 +1     1     2     3
  C     1.48669693 +1  111.7030823 +1   97.5358673 +1    10     1     2
  C     1.53196162 +1  110.1777072 +1  -66.5409140 +1    11    10     1
  C     1.48626859 +1  111.9331076 +1  124.9734147 +1    10     1    11
  C     1.53331286 +1  109.9846678 +1   71.7149419 +1    13    10     1
  H     1.11380142 +1  109.1536159 +1  123.8198712 +1     1     2    10
  H     1.11264427 +1  107.9302451 +1  114.8066960 +1     1     2    15
  H     1.08972858 +1  120.0591196 +1 -179.5432851 +1     5     4     6
  H     1.08768235 +1  119.9482633 +1 -179.6276080 +1     6     5     7
  H     1.08805980 +1  119.9012040 +1 -179.7382108 +1     7     6     8
  H     1.08763162 +1  120.1334964 +1  179.9602571 +1     8     7     9
  H     1.09387030 +1  120.4625679 +1  179.2618664 +1     9     8     7
  H     1.11058693 +1  112.6576609 +1  123.5108153 +1    11    10    12
  H     1.11364860 +1  107.6681517 +1  117.7669860 +1    11    10    22
  H     1.09784354 +1  111.1981930 +1  -48.4920521 +1    12    11    10
  H     1.09820083 +1  112.0215423 +1  119.3503282 +1    12    11    24
  H     1.09415867 +1  111.0899111 +1  120.5109842 +1    12    11    25
  H     1.11351591 +1  108.0474024 +1  118.6246648 +1    13    10    14
  H     1.11014064 +1  112.7035793 +1  117.7189997 +1    13    10    27
  H     1.09454210 +1  112.3979819 +1  -70.3040039 +1    14    13    10
  H     1.09967589 +1  110.7196863 +1  119.2988512 +1    14    13    29
  H     1.09414482 +1  111.0422234 +1  119.7601129 +1    14    13    30