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4-isopropylbenzylidene t-butylamine n-oxide   1011 4-Isopropylbenzylidene t-butylamine N-oxide

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    #  Species Formula
  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-oxide C14H21NO
  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
  1020 N,N-diethylureaC5H12N2O
  1021 TetramethylureaC5H12N2O


ΔHf: -12.2 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
4-Isopropylbenzylidene t-butylamine N-oxide
 H=-12.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53145687 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53368315 +1  110.0785719 +1    0.0000000 +0     1     2     0
  C     1.53401956 +1  109.9398168 +1  122.9254018 +1     1     2     3
  N     1.51923198 +1  109.0509066 +1  118.6047369 +1     1     2     4
  C     1.31882445 +1  120.4166655 +1 -178.7090322 +1     5     1     2
  C     1.45361714 +1  125.7670062 +1  179.9601401 +1     6     5     1
  C     1.39801971 +1  123.7184557 +1   -0.0217889 +1     7     6     5
  C     1.39249208 +1  120.3954998 +1 -179.8601514 +1     8     7     6
  C     1.39463977 +1  120.6560209 +1   -0.0130773 +1     9     8     7
  C     1.39808944 +1  119.1485393 +1   -0.0448799 +1    10     9     8
  C     1.38892120 +1  120.3919227 +1    0.0584137 +1    11    10     9
  O     1.24238469 +1  115.2291434 +1 -179.8963305 +1     5     1     6
  H     1.09986116 +1  111.4851460 +1   59.5108223 +1     2     1     3
  H     1.09962113 +1  111.4747884 +1  118.0097967 +1     2     1    14
  H     1.09350698 +1  111.4484346 +1  121.0179193 +1     2     1    15
  H     1.09580004 +1  112.7134798 +1  178.0151773 +1     3     1     2
  H     1.09896900 +1  111.4266388 +1  120.6909266 +1     3     1    17
  H     1.09665601 +1  110.6938196 +1  119.1648144 +1     3     1    18
  H     1.09885371 +1  111.4698184 +1   64.0944616 +1     4     1     2
  H     1.09567591 +1  112.7185649 +1  120.7880134 +1     4     1    20
  H     1.09672510 +1  110.7117812 +1  120.0298228 +1     4     1    21
  H     1.09250956 +1  118.2836915 +1 -179.9473216 +1     6     5     7
  H     1.09288201 +1  120.3518378 +1  179.9755108 +1     8     7     9
  H     1.08855507 +1  119.3713969 +1  179.9620286 +1     9     8    10
  C     1.50633153 +1  121.1343112 +1 -179.9691622 +1    10     9    11
  H     1.08754008 +1  120.0060235 +1  179.9904475 +1    11    10    12
  H     1.08749635 +1  119.4861660 +1  179.9852025 +1    12    11    10
  C     1.53460338 +1  110.1593030 +1   61.5321760 +1    26    10     9
  C     1.53465250 +1  110.1646776 +1 -122.5646731 +1    26    10    29
  H     1.12006397 +1  109.5199311 +1 -118.7034034 +1    26    10    30
  H     1.09612052 +1  111.0093676 +1   56.1356751 +1    29    26    10
  H     1.09556856 +1  111.6680262 +1 -119.7284047 +1    29    26    32
  H     1.09450332 +1  111.1856849 +1 -120.2132149 +1    29    26    33
  H     1.09555864 +1  111.6602751 +1   64.0145180 +1    30    26    10
  H     1.09612434 +1  111.0103098 +1 -119.7230730 +1    30    26    35
  H     1.09448741 +1  111.1983189 +1 -120.0638029 +1    30    26    36