Accuracy

2,3-dimethyl butane    196 2,3-Dimethyl butane

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

   

    #  Species Formula
   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
   193 Cyclohexane (Geo)C6H12
   194 CyclohexaneC6H12
   195 2,2-Dimethyl butaneC6H14
   196 2,3-Dimethyl butane C6H14
   197 2-Methyl pentaneC6H14
   198 3-Methyl pentaneC6H14
   199 n-HexaneC6H14
   200 Phenyl lithiumH5LiC6
   201 TriethylboraneH15BC6
   202 Benzyl, cationC7H7
   203 Tropylium, cationC7H7
   204 CycloheptatrieneC7H8
   205 NorbornadieneC7H8
   206 TolueneC7H8


ΔHf: -42.5 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
2,3-Dimethyl butane
 HR=NIST H=-42.49
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53602317 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54837759 +1  110.9697190 +1    0.0000000 +0     2     1     0
  C     1.53537785 +1  111.1215069 +1  179.9914207 +1     3     2     1
  C     1.53535200 +1  108.5949788 +1  122.3075700 +1     2     1     3
  C     1.53561488 +1  111.0512962 +1  121.0293918 +1     3     2     4
  H     1.09491220 +1  111.3819613 +1  -56.5660805 +1     1     2     3
  H     1.09457643 +1  111.6887975 +1  120.7080487 +1     1     2     7
  H     1.09557263 +1  111.0669589 +1  119.5277850 +1     1     2     8
  H     1.11575408 +1  108.7722494 +1  118.3543874 +1     2     1     5
  H     1.11590354 +1  108.3332922 +1  119.5360338 +1     3     2     6
  H     1.09479171 +1  111.6902155 +1  -63.5352992 +1     4     3     2
  H     1.09497828 +1  111.3589620 +1  120.4181045 +1     4     3    12
  H     1.09545972 +1  111.0926875 +1  119.9210030 +1     4     3    13
  H     1.09476424 +1  111.6817345 +1  173.6854495 +1     5     2     1
  H     1.09501506 +1  111.3637518 +1  120.4429002 +1     5     2    15
  H     1.09543136 +1  111.0943975 +1  119.9236886 +1     5     2    16
  H     1.09486169 +1  111.3684926 +1  -56.5821037 +1     6     3     2
  H     1.09460685 +1  111.6918356 +1  120.6937323 +1     6     3    18
  H     1.09557951 +1  111.0655599 +1  119.5330632 +1     6     3    19