Accuracy

benzenamine, n-((4-methoxyphenyl)methylene)-, n-oxide   1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide

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

    

    #  Species Formula
  1267 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1268 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1270 1-Nitroso-2-naphthalenolC10H7NO2
  1271 1-Nitroso-4-naphthalenolC10H7NO2
  1272 2-Nitroso-1-naphthalenolC10H7NO2
  1273 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1274 1-NitroadamantaneC10H15NO2
  1275 2-NitroadamantaneC10H15NO2
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide C14H13NO2
  1278 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1279 NH2-NO2 (Geo)H2N2O2
  1280 OxalamideC2H4N2O2
  1281 HCONH2-HCONH2 (Geo)C2H6N2O2
  1282 N-NitrodimethylamineC2H6N2O2
  1283 Acetyl-ureaC3H6N2O2
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2
  1286 UracilC4H4N2O2
  1287 ThymineC5H6N2O2


ΔHf: 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.
  
 PM7
Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxide
 H=26.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39444327 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39208685 +1  120.1210610 +1    0.0000000 +0     2     1     0
  C     1.39737257 +1  119.0456755 +1    0.5356211 +1     3     2     1
  C     1.39684043 +1  121.3521428 +1   -1.5447055 +1     4     3     2
  C     1.39242558 +1  118.8826663 +1    1.5073744 +1     5     4     3
  N     1.45360992 +1  118.0632299 +1 -178.5301933 +1     4     3     5
  C     1.31936553 +1  120.3106018 +1 -140.0036553 +1     7     4     3
  C     1.45214112 +1  125.3101732 +1  179.5533043 +1     8     7     4
  C     1.39716908 +1  123.5147193 +1    7.4398662 +1     9     8     7
  C     1.39462058 +1  120.8656390 +1  179.8207130 +1    10     9     8
  C     1.39193715 +1  118.8646744 +1   -0.0402156 +1    11    10     9
  C     1.40614418 +1  121.4695891 +1   -0.1093380 +1    12    11    10
  C     1.38296685 +1  118.7845163 +1    0.1460472 +1    13    12    11
  O     1.24809409 +1  114.7543877 +1  178.4970644 +1     7     4     8
  C     2.37228010 +1   93.6124118 +1  179.7629453 +1    12    11    13
  H     1.08935570 +1  119.8601832 +1 -179.9146549 +1     1     2     3
  H     1.08964802 +1  120.0497204 +1 -179.7723913 +1     2     1     3
  H     1.09392906 +1  121.0703361 +1 -179.3689319 +1     3     2     4
  H     1.09000931 +1  120.9536117 +1 -179.0976128 +1     5     4     6
  H     1.08932151 +1  119.7778021 +1  179.8417934 +1     6     5     4
  H     1.09391141 +1  118.3827775 +1 -178.9687108 +1     8     7     9
  H     1.08435536 +1  119.5090016 +1  179.9531283 +1    11    10    12
  O     1.35974173 +1  125.8276206 +1    0.3395114 +1    12    11    16
  H     1.08634996 +1  119.6251199 +1  179.8979399 +1    13    12    14
  H     1.08978340 +1  119.4113740 +1  179.8115084 +1    14    13    12
  H     1.09527671 +1  120.2571815 +1 -179.9444104 +1    10     9    11
  H     1.09444786 +1   95.0071260 +1   55.8115021 +1    16    12    11
  H     1.09455286 +1   94.7605362 +1 -112.1392261 +1    16    12    28
  H     1.09833314 +1  132.8888190 +1 -123.7931772 +1    16    12    29