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

ethyl 4-pentenoate   1138 Ethyl 4-pentenoate

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    #  Species Formula
  1128 Ethyl 2-methylene-3-butenoateC7H10O2
  1129 Ethyl 2-pentynoateC7H10O2
  1130 Ethyl 3-pentynoateC7H10O2
  1131 Ethyl 4-pentynoateC7H10O2
  1132 3,5-HeptanedioneC7H12O2
  1133 3-Ethyl-2,4-pentanedioneC7H12O2
  1134 5-Methyl-2,4-hexanedioneC7H12O2
  1135 Butyl 2-propenoateC7H12O2
  1136 Ethyl (Z)-2-pentenoateC7H12O2
  1137 Ethyl (Z)-3-pentenoateC7H12O2
  1138 Ethyl 4-pentenoate C7H12O2
  1139 Ethyl trans-2-pentenoateC7H12O2
  1140 HeptanolactoneC7H12O2
  1141 Isopropyl 2-butenoateC7H12O2
  1142 Propyl (E)-2-butenoateC7H12O2
  1143 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1144 1,1-DimethoxycyclopentaneC7H14O2
  1145 1,1-Dimethylpropyl acetateC7H14O2
  1146 Ethyl 2-methylbutanoateC7H14O2
  1147 Ethyl 3-methylbutanoateC7H14O2
  1148 Ethyl pentanoateC7H14O2


ΔHf: -92.1 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
Ethyl 4-pentenoate
 H=-92.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33336242 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49392184 +1  122.2560444 +1    0.0000000 +0     2     1     0
  C     1.53138516 +1  112.1562088 +1  179.7881092 +1     3     2     1
  C     1.49890109 +1  109.9258987 +1 -179.9427172 +1     4     3     2
  O     1.35562317 +1  109.3684087 +1  179.9623014 +1     5     4     3
  C     1.43594600 +1  116.3023098 +1  179.9915898 +1     6     5     4
  C     1.51948524 +1  104.2649842 +1  179.9322939 +1     7     6     5
  O     1.20379833 +1  128.2196747 +1  179.9992060 +1     5     4     6
  H     1.07843703 +1  123.9889067 +1   -0.0113559 +1     1     2     3
  H     1.07801245 +1  123.4664121 +1  179.9994178 +1     1     2    10
  H     1.08882746 +1  121.6512265 +1 -179.9893422 +1     2     1     3
  H     1.11357986 +1  110.2873511 +1  122.7318968 +1     3     2     4
  H     1.11354284 +1  110.3226212 +1  114.5087960 +1     3     2    13
  H     1.11127076 +1  110.9212118 +1 -121.7477466 +1     4     3     5
  H     1.11140968 +1  110.9121287 +1 -116.5827603 +1     4     3    15
  H     1.10451713 +1  108.4473728 +1  120.6558924 +1     7     6     8
  H     1.10457474 +1  108.4534368 +1  118.6644597 +1     7     6    17
  H     1.09799308 +1  111.3377123 +1  -59.6974914 +1     8     7     6
  H     1.09800653 +1  111.3226185 +1  119.1332084 +1     8     7    19
  H     1.09585937 +1  111.1166839 +1  120.4192111 +1     8     7    20