Accuracy

n-methylmaleimide   1231 N-Methylmaleimide

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

    

    #  Species Formula
  1221 Methyl cyanoacetateC4H5NO2
  1222 SuccinimideC4H5NO2
  1223 2-NitrobutaneC4H9NO2
  1224 2-NitroisobutaneC4H9NO2
  1225 4-Aminobutanoic acidC4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-Methylmaleimide C5H5NO2
  1232 GlutarimideC5H7NO2
  1233 N-MethylsuccinimideC5H7NO2
  1234 ProlineC5H9NO2
  1235 5-Aminovaleric acidC5H11NO2
  1236 N,N-Dimethylglycine methyl esterC5H11NO2
  1237 tert-Pentyl nitriteC5H11NO2
  1238 ValineC5H11NO2
  1239 1,1-Dimethoxy-trimethylamineC5H13NO2
  1240 NiacinC6H5NO2
  1241 NitrobenzeneC6H5NO2


ΔHf: -61.2 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
N-Methylmaleimide
 H=-61.19 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41686544 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51361018 +1  105.4007256 +1    0.0000000 +0     2     1     0
  C     1.33933752 +1  109.1566355 +1    0.0157301 +1     3     2     1
  C     1.41747059 +1  110.8623698 +1    0.0163167 +1     1     2     3
  C     1.45288946 +1  124.8279895 +1  179.9776761 +1     1     2     5
  O     1.19726482 +1  124.8120859 +1  179.9944680 +1     2     1     3
  O     1.19707318 +1  124.8165728 +1 -179.9892229 +1     5     1     2
  H     1.07520422 +1  120.2121300 +1 -179.9984495 +1     3     2     4
  H     1.07530322 +1  130.4889711 +1 -179.9998358 +1     4     3     2
  H     1.10622620 +1  110.6197053 +1 -119.6353165 +1     6     1     2
  H     1.10624410 +1  110.6160990 +1 -119.7685184 +1     6     1    11
  H     1.10701697 +1  110.3204916 +1 -120.1155284 +1     6     1    12