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

1-ethyl cyclopentene    209 1-Ethyl cyclopentene

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   199 3-Methyl pentaneC6H14
   200 n-HexaneC6H14
   201 Phenyl lithiumH5LiC6
   202 TriethylboraneH15BC6
   203 Benzyl, cationC7H7
   204 Tropylium, cationC7H7
   205 CycloheptatrieneC7H8
   206 NorbornadieneC7H8
   207 TolueneC7H8
   208 1,2-Dimethyl cyclopenteneC7H12
   209 1-Ethyl cyclopentene C7H12
   210 1-Methyl cyclohexeneC7H12
   211 NorbornaneC7H12
   212 1,1-Dimethyl cyclopentaneC7H14
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14
   217 Ethyl cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16


ΔHf: -6.0 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
1-Ethyl cyclopentene
 H=-5.98 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50210930 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55133794 +1  104.8847930 +1    0.0000000 +0     2     1     0
  C     1.54965165 +1  105.9988988 +1   -0.0539143 +1     3     2     1
  C     1.34007355 +1  112.3079027 +1    0.0461440 +1     1     2     3
  H     1.07261130 +1  119.9754830 +1  179.9913630 +1     1     2     5
  H     1.10331148 +1  111.3349612 +1 -120.6736034 +1     2     1     3
  H     1.10332490 +1  111.3459546 +1 -118.6615577 +1     2     1     7
  H     1.09955073 +1  111.0215639 +1 -120.7017208 +1     3     2     4
  H     1.10250439 +1  111.4599158 +1  120.5640604 +1     4     3     2
  C     1.48524214 +1  129.1138716 +1 -179.9984828 +1     5     1     2
  H     1.10247057 +1  111.4530027 +1  118.9655956 +1     4     3    10
  H     1.09958229 +1  111.0227742 +1 -118.5968871 +1     3     2     9
  H     1.11230239 +1  109.4595081 +1 -122.8548358 +1    11     5     1
  H     1.11226086 +1  109.4653281 +1 -114.9093873 +1    11     5    14
  C     1.52915224 +1  113.3014544 +1 -122.5874709 +1    11     5    15
  H     1.09633269 +1  111.3012628 +1   60.0927886 +1    16    11     5
  H     1.09635368 +1  111.2839165 +1 -119.9691426 +1    16    11    17
  H     1.09550022 +1  111.2170851 +1 -120.0035396 +1    16    11    18