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

m-toluidine    523 m-Toluidine

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N
   521 2-CyclohexenecarbonitrileC7H9N
   522 BenzylamineC7H9N
   523 m-Toluidine C7H9N
   524 N-MethylanilineC7H9N
   525 o-ToluidineC7H9N
   526 p-ToluidineC7H9N
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N


ΔHf: 14.6 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
m-Toluidine
 H=14.6 HR=NIST S=84.25 CP=30.0
  N     0.00015709 +1   0.00166097 +1   0.06630189 +1
  C     0.07265853 +1  -1.38027892 +1   0.06859819 +1
  C    -1.11134862 +1  -2.14396408 +1   0.06264460 +1
  C    -1.02063175 +1  -3.52998393 +1   0.05188114 +1
  C     0.21771793 +1  -4.16640585 +1   0.04805942 +1
  C     1.39223384 +1  -3.40504204 +1   0.05525180 +1
  C     1.33000700 +1  -2.01579728 +1   0.06642830 +1
  C     2.71347708 +1  -4.09972677 +1   0.05081116 +1
  H     0.82172004 +1   0.55718947 +1   0.09444226 +1
  H    -0.87624100 +1   0.46669809 +1   0.09166447 +1
  H    -2.07809055 +1  -1.65633302 +1   0.06475231 +1
  H    -1.93275330 +1  -4.12736048 +1   0.04620807 +1
  H     0.27301232 +1  -5.24936873 +1   0.03942252 +1
  H     2.23740333 +1  -1.42417434 +1   0.07139587 +1
  H     2.82082274 +1  -4.75009149 +1   0.93182735 +1
  H     2.82143247 +1  -4.73735454 +1  -0.83945458 +1
  H     3.56195685 +1  -3.40402761 +1   0.05602233 +1