PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

n-methylsuccinimide   1235 N-Methylsuccinimide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1225 2-NitrobutaneC4H9NO2
  1226 2-NitroisobutaneC4H9NO2
  1227 4-Aminobutanoic acidC4H9NO2
  1228 Isobutyl nitriteC4H9NO2
  1229 n-Butyl nitriteC4H9NO2
  1230 Sec-butyl nitriteC4H9NO2
  1231 t-Butyl nitriteC4H9NO2
  1232 DiethanolamineC4H11NO2
  1233 N-MethylmaleimideC5H5NO2
  1234 GlutarimideC5H7NO2
  1235 N-Methylsuccinimide C5H7NO2
  1236 ProlineC5H9NO2
  1237 5-Aminovaleric acidC5H11NO2
  1238 N,N-Dimethylglycine methyl esterC5H11NO2
  1239 tert-Pentyl nitriteC5H11NO2
  1240 ValineC5H11NO2
  1241 1,1-Dimethoxy-trimethylamineC5H13NO2
  1242 NiacinC6H5NO2
  1243 NitrobenzeneC6H5NO2
  1244 ortho Nitroso-phenolC6H5NO2
  1245 Ethyl 2-cyanopropionateC6H9NO2


ΔHf: -93.1 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-Methylsuccinimide
 H=-93.1 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40743593 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51954609 +1  108.0553637 +1    0.0000000 +0     2     1     0
  C     1.53704371 +1  105.4714810 +1    0.0475789 +1     3     2     1
  C     1.40819485 +1  112.9475144 +1   -0.0169245 +1     1     2     3
  C     1.45631298 +1  123.8987731 +1  179.9471292 +1     1     2     5
  O     1.20065470 +1  123.7967913 +1  179.9926783 +1     2     1     3
  O     1.20038511 +1  123.6894451 +1  179.9803662 +1     5     1     2
  H     1.10628644 +1  110.2765868 +1 -121.8334030 +1     3     2     4
  H     1.10633975 +1  110.2890611 +1 -116.3518547 +1     3     2     9
  H     1.10627667 +1  112.5504280 +1 -120.4229921 +1     4     3     2
  H     1.10634596 +1  112.5477847 +1 -119.3046305 +1     4     3    11
  H     1.10583429 +1  110.5438580 +1  120.6566460 +1     6     1     2
  H     1.10581269 +1  110.5486572 +1  119.6053267 +1     6     1    13
  H     1.10695112 +1  110.3609480 +1  120.1872780 +1     6     1    14