(1S,3S,4R)-4-[(3As,4R,5S,7As)-4-(Aminomethyl)-7A-Methyl-1-Methyleneoctahydro-1H-Inden-5-Yl]-3-(Hydroxymethyl)-4-Methylcyclohexanol

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Properties Simple | Detailed

Formula C20H35NO2
IUPAC Name (1s,3s,4r)-4-[(3as,4r,5s,7as)-4-(aminomethyl)-7a-methyl-1-methylene-3,3a,4,5,6,7-hexahydro-2h-inden-5-yl]-3-(hydroxymethyl)-4-methyl-cyclohexanol
Molecular Mass 321.497 g·mol−1
Heat of Formation -496.5 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 430.02 Å 3
Surface Area 336.31 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 4.33 ± eV
Point Group Symmetry C1
InChIKey MDEJTPWQNNMAQF-BVMLLJBZSA-N
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