Accuracy

isopropylbutylamine    529 Isopropylbutylamine

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    #  Species Formula
   519 2-CyclohexenecarbonitrileC7H9N
   520 BenzylamineC7H9N
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N
   524 p-ToluidineC7H9N
   525 CyanocyclohexaneC7H11N
   526 CyclohexanecarbonitrileC7H11N
   527 Hexahydro-1H-pyrrolizineC7H13N
   528 n-HeptanenitrileC7H13N
   529 Isopropylbutylamine C7H17N
   530 1-NorbornylcyanideC8H11N
   531 1-NorbornylisocyanideC8H11N
   532 5-Ethyl-2-methyl-pyridineC8H11N
   533 N,N-Dimethyl anilineC8H11N
   534 N-Ethyl anilineC8H11N
   535 3-Azabicyclo[3.2.2]nonaneC8H15N
   536 n-Heptyl cyanideC8H15N
   537 N-(2-Methylpropylidene)-butylamineC8H17N
   538 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   539 Di-sec-butylamineC8H19N


ΔHf: -39.4 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
Isopropylbutylamine
 H=-39.44 HR=NIST
  C     0.06142082 +1   0.15020823 +1  -0.01359297 +1
  C     1.10759955 +1  -0.97148484 +1  -0.17265858 +1
  N     1.92023382 +1  -0.85491307 +1  -1.40268290 +1
  C     1.14736531 +1  -1.13430259 +1  -2.63436018 +1
  C     2.02547113 +1  -0.83390479 +1  -3.86157770 +1
  C     1.26810289 +1  -1.16612621 +1  -5.15205361 +1
  C     2.11465492 +1  -0.83112951 +1  -6.38010572 +1
  C     2.07263187 +1  -0.95211558 +1   1.02468444 +1
  H     0.53295777 +1   1.13624656 +1   0.03153789 +1
  H    -0.64882723 +1   0.15873348 +1  -0.84579335 +1
  H    -0.51425615 +1   0.01883985 +1   0.90797815 +1
  H     0.58422627 +1  -1.96213928 +1  -0.20602764 +1
  H     2.38394375 +1   0.04863982 +1  -1.45385148 +1
  H     0.87048711 +1  -2.21199538 +1  -2.61864059 +1
  H     0.20114641 +1  -0.55533136 +1  -2.69291036 +1
  H     2.33512554 +1   0.22664310 +1  -3.86230169 +1
  H     2.96142559 +1  -1.42285416 +1  -3.79998957 +1
  H     0.99361719 +1  -2.23808491 +1  -5.16433507 +1
  H     0.31425178 +1  -0.60644106 +1  -5.18882874 +1
  H     2.37449752 +1   0.23275122 +1  -6.41058250 +1
  H     3.05176312 +1  -1.39943145 +1  -6.38713480 +1
  H     1.57946903 +1  -1.06610937 +1  -7.30646719 +1
  H     2.84959918 +1  -1.71891038 +1   0.90226480 +1
  H     2.58145457 +1   0.01131534 +1   1.12260762 +1
  H     1.54219314 +1  -1.15235518 +1   1.95976818 +1