Accuracy

3-methyl cyclopentene    182 3-Methyl cyclopentene

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

    

    #  Species Formula
   172 Benzene (Geo)C6H6
   173 FulveneC6H6
   174 Fulvene (Geo)C6H6
   175 (E)-1,3,5-HexatrieneC6H8
   176 (Z)-1,3,5-HexatrieneC6H8
   177 1,3-CyclohexadieneC6H8
   178 1,4-CyclohexadieneC6H8
   179 1,2-DimethylcyclobuteneC6H10
   180 1,5-HexadieneC6H10
   181 1-Methyl cyclopenteneC6H10
   182 3-Methyl cyclopentene C6H10
   183 4-Methyl cyclopenteneC6H10
   184 BicyclopropylC6H10
   185 Cyclohexene (Geo)C6H10
   186 CyclohexeneC6H10
   187 Cyclohexyl, cationC6H11
   188 1-HexeneC6H12
   189 2,3-Dimethyl-1-buteneC6H12
   190 2,3-Dimethyl-2-buteneC6H12
   191 (Z)-3-Methyl-2-penteneC6H12
   192 4-Methyl-1-penteneC6H12


ΔHf: 2.3 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
3-Methyl cyclopentene
 H=2.31 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50348199 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55006695 +1  104.7564679 +1    0.0000000 +0     2     1     0
  C     1.55727296 +1  106.0186188 +1    5.0317806 +1     3     2     1
  C     1.33754217 +1  112.3060530 +1   -3.0250675 +1     1     2     3
  C     1.52693942 +1  112.3617887 +1 -126.0946181 +1     4     3     2
  H     1.07397068 +1  120.0357423 +1  179.9679085 +1     1     2     5
  H     1.10294322 +1  111.4871129 +1 -120.8161178 +1     2     1     3
  H     1.10359468 +1  111.1923515 +1 -118.6319412 +1     2     1     8
  H     1.09994484 +1  110.7921310 +1 -120.7171902 +1     3     2     4
  H     1.09855105 +1  111.3744048 +1 -118.4020802 +1     3     2    10
  H     1.11501295 +1  109.6055857 +1 -121.8509021 +1     4     3     6
  H     1.09661507 +1  111.3610081 +1   60.2008934 +1     6     4     3
  H     1.09592947 +1  111.2567627 +1  119.6984146 +1     6     4    13
  H     1.09541951 +1  111.3443316 +1  120.1063238 +1     6     4    14
  H     1.07337242 +1  127.7515894 +1  179.5974613 +1     5     1     2