Accuracy
isopropylbutylamine
529 Isopropylbutylamine
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Geometry predicted using PM7
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