(1S,3S,4R)-4-[(3As,4R,5S,7As)-4-(Aminomethyl)-7A-Methyl-1-Methyleneoctahydro-1H-Inden-5-Yl]-3-(Hydroxymethyl)-4-Methylcyclohexanol
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |