Accuracy

n,n-dimethyl p-toluidine    551 N,N-Dimethyl p-toluidine

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

    

    #  Species Formula
   541 N-(2-Methylpropyl)-1-butanamineC8H19N
   542 n-OctylamineC8H19N
   543 IsoquinolineC9H7N
   544 QuinolineC9H7N
   545 2,6-DimethylbenzonitrileC9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N
   550 N,N-Dimethyl m-toluidineC9H13N
   551 N,N-Dimethyl p-toluidine C9H13N
   552 N-Ethyl m-toluidineC9H13N
   553 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   554 Decahydro trans-quinolineC9H17N
   555 2,2,6,6-Tetramethyl piperidineC9H19N
   556 2-Methyl-quinolineC10H9N
   557 4-Methyl-quinolineC10H9N
   558 6-Methyl-quinolineC10H9N
   559 8-Methyl-quinolineC10H9N
   560 2,4,6-Trimethyl-benzonitrileC10H11N
   561 2,4,6-Trimethylphenyl isocyanideC10H11N


ΔHf: 16.5 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
N,N-Dimethyl p-toluidine
 H=16.5 HR=NIST
  C    -0.00665522 +1  -0.00989008 +1  -0.00484172 +1
  N     1.45093362 +1   0.09207637 +1   0.19687212 +1
  C     1.96140552 +1  -0.99030173 +1   1.05743828 +1
  C     2.21708779 +1   0.39389635 +1  -0.94991577 +1
  C     1.63894923 +1   1.08536358 +1  -2.03355344 +1
  C     2.42548568 +1   1.51985589 +1  -3.09171715 +1
  C     3.80014136 +1   1.27369905 +1  -3.10955129 +1
  C     4.37509331 +1   0.57320792 +1  -2.04952601 +1
  C     3.59988533 +1   0.13153449 +1  -0.98363973 +1
  C     4.62851810 +1   1.76158191 +1  -4.24944713 +1
  H    -0.40398946 +1   0.98933997 +1  -0.25961056 +1
  H    -0.29394532 +1  -0.72064408 +1  -0.79523707 +1
  H    -0.49958602 +1  -0.31286859 +1   0.93328290 +1
  H     2.07022749 +1  -1.95404218 +1   0.53643786 +1
  H     2.94174208 +1  -0.69343390 +1   1.47208078 +1
  H     1.28781732 +1  -1.12972679 +1   1.91933192 +1
  H     0.57464274 +1   1.29692335 +1  -2.05151414 +1
  H     1.96229166 +1   2.05907064 +1  -3.91743268 +1
  H     5.44456022 +1   0.36676573 +1  -2.05169894 +1
  H     4.08225104 +1  -0.40868065 +1  -0.17493314 +1
  H     4.26906174 +1   1.35724182 +1  -5.20658216 +1
  H     4.59535733 +1   2.85847288 +1  -4.32273011 +1
  H     5.68462105 +1   1.47805971 +1  -4.15612427 +1