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

1,cis-3-pentadiene    150 1,cis-3-Pentadiene

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropeneC5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-Pentadiene C5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10


ΔHf: 19.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
1,cis-3-Pentadiene
 HR=C&P1970 H=19.1
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33700671 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45618643 +1  122.6393562 +1    0.0000000 +0     2     1     0
  C     1.34081291 +1  125.3546999 +1  179.7656319 +1     3     2     1
  C     1.48673800 +1  126.1817717 +1   -0.0124523 +1     4     3     2
  H     1.07818257 +1  123.3072929 +1  179.9979722 +1     1     2     3
  H     1.07805353 +1  123.9140313 +1   -0.0082778 +1     1     2     3
  H     1.09199824 +1  116.4311863 +1   -0.2454073 +1     2     3     4
  H     1.09398076 +1  115.0944057 +1   -0.2405391 +1     3     2     1
  H     1.09310117 +1  120.0756351 +1  179.9993817 +1     4     3     2
  H     1.09788538 +1  113.5417590 +1    0.2937353 +1     5     4     3
  H     1.10086603 +1  111.0104247 +1  120.7747057 +1     5     4     3
  H     1.10090830 +1  111.0035127 +1 -120.1863493 +1     5     4     3