PM7 Accuracy

  1280 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide

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    #  Species Formula
  1270 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1271 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1272 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1273 1-Nitroso-2-naphthalenolC10H7NO2
  1274 1-Nitroso-4-naphthalenolC10H7NO2
  1275 2-Nitroso-1-naphthalenolC10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1277 1-NitroadamantaneC10H15NO2
  1278 2-NitroadamantaneC10H15NO2
  1279 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1280 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide C14H13NO2
  1281 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1282 NH2-NO2 (Geo)H2N2O2
  1283 OxalamideC2H4N2O2
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  1285 N-NitrodimethylamineC2H6N2O2
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2



DHf: 26.2 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.

  

Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide
 H=26.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.39959593  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.39646758  1  120.1602010  1    0.0000000  0     2     1     0   0.0000
  C     1.40618004  1  119.5145468  1    0.0554659  1     3     2     1   0.0000
  C     1.40416326  1  120.5457662  1   -0.1606405  1     4     3     2   0.0000
  C     1.39729523  1  119.3372814  1    0.1623696  1     5     4     3   0.0000
  N     1.47682301  1  117.4087550  1 -179.8238701  1     4     3     5   0.0000
  C     1.33112697  1  120.4695585  1 -177.2499938  1     7     4     3   0.0000
  C     1.46060989  1  125.4489186  1 -179.9687522  1     8     7     4   0.0000
  C     1.40496150  1  123.1429917  1    0.0981154  1     9     8     7   0.0000
  C     1.39916139  1  120.9655025  1  179.9886737  1    10     9     8   0.0000
  C     1.39851927  1  118.6896493  1    0.0028668  1    11    10     9   0.0000
  C     1.41380889  1  121.6596377  1   -0.0045635  1    12    11    10   0.0000
  C     1.38665767  1  118.7087376  1    0.0136999  1    13    12    11   0.0000
  O     1.25429861  1  115.1246302  1  179.9298843  1     7     4     8   0.0000
  C     2.42167223  1   93.8350861  1  179.9633179  1    12    11    13   0.0000
  H     1.08913269  1  119.9726580  1  179.9967437  1     1     2     3   0.0000
  H     1.08935531  1  120.1335662  1 -179.9710457  1     2     1     3   0.0000
  H     1.09659764  1  121.2605714  1 -179.9291671  1     3     2     4   0.0000
  H     1.09071913  1  120.8917398  1 -179.9392848  1     5     4     6   0.0000
  H     1.08903842  1  119.6631173  1  179.9907430  1     6     5     4   0.0000
  H     1.09594548  1  119.0467455  1 -179.9503232  1     8     7     9   0.0000
  H     1.08382007  1  119.5435174  1  179.9920622  1    11    10    12   0.0000
  O     1.37828418  1  125.7563687  1    0.0558775  1    12    11    16   0.0000
  H     1.08636950  1  119.4109866  1  179.9985194  1    13    12    14   0.0000
  H     1.08899775  1  119.2876392  1  179.9930357  1    14    13    12   0.0000
  H     1.09782093  1  119.6817006  1  179.9939430  1    10     9    11   0.0000
  H     1.09296051  1   94.4443060  1   56.0370334  1    16    12    11   0.0000
  H     1.09297949  1   94.5290980  1 -112.4505777  1    16    12    28   0.0000
  H     1.09684456  1  131.9858868  1 -123.8259198  1    16    12    29   0.0000