Accuracy

n-methylglycine   1218 N-Methylglycine

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    #  Species Formula
  1208 Nitrous acid, transHNO2
  1209 Methyl nitriteCH3NO2
  1210 NitromethaneCH3NO2
  1211 Ethyl nitriteC2H5NO2
  1212 GlycineC2H5NO2
  1213 Methyl carbamateC2H5NO2
  1214 NitroethaneC2H5NO2
  1215 AlanineC3H7NO2
  1216 beta-AlanineC3H7NO2
  1217 IsopropylnitriteC3H7NO2
  1218 N-Methylglycine C3H7NO2
  1219 Propyl nitriteC3H7NO2
  1220 UrethaneC3H7NO2
  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


ΔHf: -87.8 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-Methylglycine
 H=-87.772 HR=NIST
  C     0.02517431 +1  -0.01743258 +1   0.13579253 +1
  N     1.43766968 +1  -0.04028520 +1  -0.28699341 +1
  C     2.04394848 +1   1.30696744 +1  -0.20761677 +1
  C     3.54369418 +1   1.15855143 +1  -0.20889715 +1
  O     4.11810744 +1   2.21539965 +1  -0.83499396 +1
  O     4.20728952 +1   0.28516778 +1   0.28224621 +1
  H    -0.38053117 +1  -1.04112667 +1   0.05079354 +1
  H    -0.55491599 +1   0.61602797 +1  -0.55659965 +1
  H    -0.14401830 +1   0.33879903 +1   1.16254285 +1
  H     1.97738874 +1  -0.71073948 +1   0.26703512 +1
  H     1.74201223 +1   1.89570001 +1   0.68982044 +1
  H     1.70239921 +1   1.88905456 +1  -1.10079058 +1
  H     5.10635400 +1   2.16787983 +1  -0.86920290 +1