Accuracy

alpha-methyl styrene    193 alpha-Methyl styrene

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

    

    #  Species Formula
   183 2,4-Dimethyl hexaneC8H18
   184 2,5-Dimethyl hexaneC8H18
   185 3-Ethyl hexaneC8H18
   186 3,3-Dimethyl hexaneC8H18
   187 3-Ethyl-2-methyl pentaneC8H18
   188 3,4-Dimethyl hexaneC8H18
   189 3-Ethyl-3-methyl pentaneC8H18
   190 3-Methyl heptaneC8H18
   191 4-Methyl heptaneC8H18
   192 n-OctaneC8H18
   193 alpha-Methyl styrene C9H10
   194 Cyclopropyl benzeneC9H10
   195 1,3,5-Trimethyl cyclohexaneC9H18
   196 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   197 n-NonaneC9H20
   198 3,3-DiethylpentaneC9H20
   199 AzuleneC10H8
   200 Naphthalene (Geo)C10H8
   201 NaphthaleneC10H8
   202 1-Butynl benzeneC10H10
   203 1,4-Dicyclopropylbuta-1,3-diyneC10H10


ΔHf: 28.3 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.
  

alpha-Methyl styrene
 H=28.27 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39634757 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39297920 +1  119.8433034 +1    0.0000000 +0     2     1     0
  C     1.39383450 +1  120.1245432 +1   -0.1214750 +1     3     2     1
  C     1.39407872 +1  119.9816864 +1    0.1328234 +1     4     3     2
  C     1.39648968 +1  120.0773248 +1    0.0175971 +1     1     2     3
  C     1.47324487 +1  120.0146256 +1  179.7521667 +1     1     2     3
  C     1.49208550 +1  114.7503264 +1  -78.4057213 +1     7     1     2
  C     1.33459154 +1  121.7486559 +1  101.7348635 +1     7     1     2
  H     1.08793444 +1  119.9127743 +1  179.7217929 +1     2     1     6
  H     1.08826519 +1  119.8602543 +1  179.8247992 +1     3     2     1
  H     1.08768193 +1  120.0288429 +1 -179.9371355 +1     4     3     2
  H     1.08825485 +1  119.9826472 +1  179.9455422 +1     5     4     3
  H     1.08813599 +1  119.8378798 +1 -179.8086153 +1     6     1     2
  H     1.09775761 +1  112.6207097 +1 -179.7078055 +1     8     7     1
  H     1.10009133 +1  111.1968196 +1   59.6761498 +1     8     7     1
  H     1.10048454 +1  111.0308048 +1  -59.2548780 +1     8     7     1
  H     1.07728660 +1  123.7800672 +1 -179.9129272 +1     9     7     1
  H     1.07868977 +1  123.3310515 +1   -0.1104917 +1     9     7     1