Accuracy

ethyl 2-cyanopropionate   1243 Ethyl 2-cyanopropionate

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    #  Species Formula
  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
  1242 ortho Nitroso-phenolC6H5NO2
  1243 Ethyl 2-cyanopropionate C6H9NO2
  1244 Ethyl N,N-dimethylglycinateC6H13NO2
  1245 Hexanoic acid, 6-amino-C6H13NO2
  1246 IsoleucineC6H13NO2
  1247 LeucineC6H13NO2
  1248 Methyl N,N-dimethylalaninateC6H13NO2
  1249 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1250 m-Aminobenzoic acidC7H7NO2
  1251 o-Aminobenzoic acidC7H7NO2
  1252 p-Aminobenzoic acidC7H7NO2
  1253 p-NitrotolueneC7H7NO2


ΔHf: -74.6 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 2-cyanopropionate
 H=-74.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53043517 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52419680 +1  108.5576623 +1    0.0000000 +0     2     1     0
  O     1.34971057 +1  108.3792329 +1 -132.1913894 +1     3     2     1
  C     1.43206133 +1  117.6238656 +1  179.0597901 +1     4     3     2
  C     1.51768204 +1  110.0177875 +1  -76.3497559 +1     5     4     3
  C     1.44762068 +1  111.0065774 +1  119.7534854 +1     2     1     3
  N     1.15590137 +1  144.2582162 +1 -178.5618390 +1     7     1     2
  O     1.19946136 +1  127.1510730 +1  179.9296956 +1     3     2     4
  H     1.10183362 +1  111.5047516 +1  -56.4390728 +1     1     2     3
  H     1.09769992 +1  111.4841567 +1  119.7275845 +1     1     2    10
  H     1.09813882 +1  111.4819576 +1  120.2275696 +1     1     2    11
  H     1.13181694 +1  109.4249760 +1  120.9169126 +1     2     1     7
  H     1.10544702 +1  109.4021226 +1  124.1338951 +1     5     4     6
  H     1.10717117 +1  101.1886952 +1  116.1893345 +1     5     4    14
  H     1.09683509 +1  111.5887983 +1  -52.9201485 +1     6     5     4
  H     1.09994408 +1  111.2939481 +1  120.0114035 +1     6     5    16
  H     1.09655609 +1  111.3144764 +1  119.6235795 +1     6     5    17