Accuracy

butaner    135 n-Butane (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo) C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5


REF: R. A. Bonham, L. S. Bartell, J. Am. Chem. Soc., 81, 3491 (1959).
  
 PM7
n-Butane
 <C1-C2> <C2-C3> <C-C-C> GR=BB1959
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53300000 +1  112.8000000 +1    0.0000000 +0     2     1     0
  C     1.52853147 +1  110.9396829 +1  179.9890567 +1     3     2     1
  H     1.09560530 +1  111.2200572 +1 -179.9037231 +1     4     3     2
  H     1.09556431 +1  111.4378218 +1   60.1650755 +1     4     3     2
  H     1.09558509 +1  111.4481562 +1  -59.9632525 +1     4     3     2
 XX     1.00000000 +0  124.6196350 +0    0.0000000 +0     3     2     1
  H     1.10610985 +1   52.8710113 +1   89.8113110 +1     3     8     2
  H     1.10606204 +1   52.9024602 +1  -89.8556652 +1     3     8     2
 XX     1.00000000 +0  124.6196350 +0    0.0000000 +0     2     3     4
  H     1.10632494 +1   52.8451730 +1   89.7225992 +1     2    11     3
  H     1.10628250 +1   52.8762885 +1  -89.7662598 +1     2    11     3
  H     1.09575162 +1  111.4690649 +1  -59.9809055 +1     1     2     3
  H     1.09573806 +1  111.4595373 +1   60.1699874 +1     1     2     3
  H     1.09576690 +1  111.2112313 +1 -179.9086792 +1     1     2     3