Accuracy

2-propanamine, 2-methyl-n-(phenylmethylene)-, n-oxide   1002 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   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-oxide C11H15NO
  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


ΔHf: 7.4 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-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide
 H=7.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53354390 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53142729 +1  110.0806480 +1    0.0000000 +0     1     2     0
  C     1.53369545 +1  111.3279349 +1  122.2595436 +1     1     2     3
  N     1.52010065 +1  108.0704738 +1  118.8894174 +1     1     2     4
  C     1.31916042 +1  120.4296330 +1  -62.4427518 +1     5     1     2
  C     1.45387394 +1  125.7648769 +1 -179.7920291 +1     6     5     1
  C     1.39783350 +1  123.6371874 +1   -1.5497120 +1     7     6     5
  C     1.39419329 +1  120.2585017 +1  179.9257871 +1     8     7     6
  C     1.39147711 +1  120.4225010 +1    0.0453568 +1     9     8     7
  C     1.39559098 +1  119.6674842 +1    0.0103387 +1    10     9     8
  C     1.38926977 +1  120.1854785 +1   -0.0348323 +1    11    10     9
  O     1.24162031 +1  115.2457722 +1  179.9829421 +1     5     1     6
  H     1.09895421 +1  111.4529357 +1   61.6385857 +1     2     1     3
  H     1.09587575 +1  112.6711986 +1  120.7295343 +1     2     1    14
  H     1.09672513 +1  110.6974076 +1  120.0985677 +1     2     1    15
  H     1.09960682 +1  111.5022742 +1 -177.0707575 +1     3     1     2
  H     1.09992254 +1  111.4985470 +1  118.0247766 +1     3     1    17
  H     1.09356925 +1  111.4375791 +1  120.9373624 +1     3     1    18
  H     1.09565540 +1  112.7902768 +1   53.2096598 +1     4     1     2
  H     1.09886183 +1  111.4806801 +1  120.9386041 +1     4     1    20
  H     1.09698847 +1  110.6601956 +1  119.0848039 +1     4     1    21
  H     1.09252835 +1  118.2849887 +1  179.9697403 +1     6     5     7
  H     1.09245919 +1  120.4144166 +1 -179.9898882 +1     8     7     9
  H     1.08853412 +1  119.5080287 +1 -179.9647120 +1     9     8    10
  H     1.08678326 +1  120.2846370 +1 -179.9674111 +1    10     9    11
  H     1.08760741 +1  119.8740219 +1 -179.9896082 +1    11    10    12
  H     1.08706997 +1  119.6345584 +1 -179.9724074 +1    12    11    10