PM7 Accuracy

1-ethyl cyclopentene    209 1-Ethyl cyclopentene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  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


DHf: -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