PM7 Accuracy

ethyl n,n-dimethylglycinate   1248 Ethyl N,N-dimethylglycinate

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    #  Species Formula
  1238 ProlineC5H9NO2
  1239 5-Aminovaleric acidC5H11NO2
  1240 N,N-Dimethylglycine methyl esterC5H11NO2
  1241 tert-Pentyl nitriteC5H11NO2
  1242 ValineC5H11NO2
  1243 1,1-Dimethoxy-trimethylamineC5H13NO2
  1244 NiacinC6H5NO2
  1245 NitrobenzeneC6H5NO2
  1246 ortho Nitroso-phenolC6H5NO2
  1247 Ethyl 2-cyanopropionateC6H9NO2
  1248 Ethyl N,N-dimethylglycinate C6H13NO2
  1249 Hexanoic acid, 6-amino-C6H13NO2
  1250 IsoleucineC6H13NO2
  1251 LeucineC6H13NO2
  1252 Methyl N,N-dimethylalaninateC6H13NO2
  1253 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1254 m-Aminobenzoic acidC7H7NO2
  1255 o-Aminobenzoic acidC7H7NO2
  1256 p-Aminobenzoic acidC7H7NO2
  1257 p-NitrotolueneC7H7NO2
  1258 PhenylnitromethaneC7H7NO2


DHf: -97.3 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
Ethyl N,N-dimethylglycinate
 H=-97.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51988830  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.42909166  1  109.9138864  1    0.0000000  0     2     1     0
  C     1.35289778  1  117.6473380  1  -77.2796417  1     3     2     1
  C     1.51873971  1  108.8752086  1  179.4407652  1     4     3     2
  N     1.47884497  1  107.0801826  1  115.2497802  1     5     4     3
  C     1.47698427  1  111.4230738  1   78.6375244  1     6     5     4
  O     1.20216309  1  123.4037604  1 -177.9702765  1     4     3     5
  C     1.47833036  1  110.5113857  1  123.5671857  1     6     5     7
  H     1.09645808  1  111.4410039  1  -51.3446983  1     1     2     3
  H     1.09992616  1  111.0186251  1  119.6740522  1     1     2    10
  H     1.09529668  1  111.4216880  1  119.7446746  1     1     2    11
  H     1.10648254  1  112.8853570  1  112.4212732  1     2     1     3
  H     1.10494513  1  112.4809739  1  125.3880283  1     2     1    13
  H     1.11270113  1  108.7851081  1  124.1251570  1     5     4     6
  H     1.11614533  1  109.7972267  1  116.7672197  1     5     4    15
  H     1.10715838  1  109.4140480  1  -56.1284411  1     7     6     5
  H     1.09897999  1  114.7325163  1  121.9203632  1     7     6    17
  H     1.10293014  1  108.5254525  1  121.9233885  1     7     6    18
  H     1.09936257  1  114.7136493  1  -60.9212769  1     9     6     5
  H     1.10310581  1  109.2089155  1  122.5512514  1     9     6    20
  H     1.10392966  1  108.5556197  1  116.0665722  1     9     6    21