Accuracy

2-methyl-6-t-butylaniline    568 2-Methyl-6-t-butylaniline

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

    

    #  Species Formula
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanideC10H11N
   562 N,N-Diethyl anilineC10H15N
   563 n-Nonyl cyanideC10H19N
   564 2,6-Dimethyl quinolineC11H11N
   565 2,7-Dimethyl quinolineC11H11N
   566 1-Adamantyl cyanideC11H15N
   567 1-Adamantyl isocyanideC11H15N
   568 2-Methyl-6-t-butylaniline C11H17N
   569 n-UndecanenitrileC11H21N
   570 CarbazoleC12H9N
   571 2-BiphenylamineC12H11N
   572 BiphenylamineC12H11N
   573 2-n-Butyl-2-methylhexanenitrileC12H23N
   574 6,7-BenzoquinolineC13H9N
   575 a-BenzoquinolineC13H9N
   576 AcridineC13H9N
   577 Benzo[f]quinolineC13H9N
   578 PhenanthridineC13H9N


ΔHf: -10.7 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-Methyl-6-t-butylaniline
 H=-10.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41609858 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38955468 +1  119.8603286 +1    0.0000000 +0     2     1     0
  C     1.39026378 +1  120.1535348 +1    0.2053664 +1     3     2     1
  C     1.39112151 +1  119.7824944 +1    0.1298707 +1     4     3     2
  C     1.39603473 +1  122.2038558 +1   -0.4469392 +1     5     4     3
  N     1.40585598 +1  117.2703366 +1 -176.4399682 +1     1     2     3
  C     1.49391924 +1  121.0760798 +1  179.5214101 +1     2     1     3
  C     1.51973608 +1  119.4295917 +1  179.9365421 +1     6     5     4
  C     1.54586701 +1  112.7417551 +1    2.6585280 +1     9     6     5
  C     1.54414541 +1  110.2707144 +1  118.2576170 +1     9     6    10
  C     1.53941116 +1  109.7897424 +1  123.1219845 +1     9     6    11
  H     1.08869550 +1  120.0341522 +1  179.9531413 +1     3     2     4
  H     1.08612545 +1  120.1823430 +1  179.9370223 +1     4     3     5
  H     1.09007766 +1  117.3050230 +1  179.8826416 +1     5     4     6
  H     1.00193837 +1  116.8951032 +1  -27.1058571 +1     7     1     2
  H     1.00428422 +1  117.1545164 +1 -138.3220117 +1     7     1    16
  H     1.10136363 +1  111.2112701 +1  -56.5935947 +1     8     2     1
  H     1.09859720 +1  111.7797679 +1  121.1480197 +1     8     2    18
  H     1.09883799 +1  112.1419369 +1  119.7682310 +1     8     2    19
  H     1.09546135 +1  111.6499063 +1  -60.3769604 +1    10     9     6
  H     1.09508786 +1  111.6019059 +1  121.6571839 +1    10     9    21
  H     1.09585696 +1  110.7896145 +1  119.3925326 +1    10     9    22
  H     1.09163119 +1  113.2253414 +1   75.0797258 +1    11     9     6
  H     1.09632708 +1  110.5518245 +1 -121.1973972 +1    11     9    24
  H     1.09608262 +1  111.0789160 +1 -119.2144063 +1    11     9    25
  H     1.09753379 +1  110.4067510 +1   61.9820254 +1    12     9     6
  H     1.09320831 +1  113.4200578 +1 -118.8349084 +1    12     9    27
  H     1.09437256 +1  111.2144227 +1 -121.3937024 +1    12     9    28