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(e)-3-(methylamino)-1-phenyl-but-2-enone   1000 (E)-3-(Methylamino)-1-phenyl-but-2-enone

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    #  Species Formula
   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-oxideC10H11NO
   998 2-(Dimethylamino)-acetophenoneC10H13NO
   999 N,N,4-Trimethyl benzamideC10H13NO
  1000 (E)-3-(Methylamino)-1-phenyl-but-2-enone C11H13NO
  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


ΔHf: -12.8 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
(E)-3-(Methylamino)-1-phenyl-but-2-enone
 H=-12.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39444533 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39359511 +1  120.0043512 +1    0.0000000 +0     2     1     0
  C     1.39401337 +1  119.6719401 +1   -0.0348572 +1     3     2     1
  C     1.39457918 +1  120.4530114 +1    0.7358213 +1     4     3     2
  C     1.39408246 +1  120.1821582 +1   -0.3423131 +1     1     2     3
  C     1.49601454 +1  120.8817210 +1  178.6161353 +1     4     3     5
  C     1.44319368 +1  116.5883337 +1   44.2891991 +1     7     4     3
  C     1.36782474 +1  124.7262250 +1 -170.7595754 +1     8     7     4
  N     1.37364984 +1  122.1314922 +1 -179.3695437 +1     9     8     7
  C     1.46109465 +1  122.2182203 +1    0.7533975 +1    10     9     8
  C     1.49693523 +1  124.9691698 +1 -179.2984506 +1     9     8    10
  O     1.21690526 +1  118.4020836 +1  179.2886822 +1     7     4     8
  H     1.08792502 +1  119.8945417 +1 -179.8538538 +1     1     2     6
  H     1.08711446 +1  120.0497576 +1  179.7378684 +1     2     1     3
  H     1.08887084 +1  120.2166704 +1  179.6705802 +1     3     2     4
  H     1.09111223 +1  119.6319350 +1  178.4182389 +1     5     4     3
  H     1.08760527 +1  120.0547495 +1 -179.6549471 +1     6     1     2
  H     1.08524152 +1  114.9375968 +1 -179.3629265 +1     8     7     9
  H     1.00301103 +1  120.8125299 +1  179.9627445 +1    10     9    11
  H     1.10685404 +1  111.0741069 +1  -60.0501751 +1    11    10     9
  H     1.10720478 +1  111.0358770 +1  120.2122148 +1    11    10    21
  H     1.10172473 +1  110.4024083 +1  119.8468720 +1    11    10    22
  H     1.09755075 +1  112.1632530 +1  115.9669862 +1    12     9     8
  H     1.09800264 +1  112.1777340 +1  122.7341394 +1    12     9    24
  H     1.11194878 +1  111.6767955 +1  118.2558555 +1    12     9    25