9-Hydroxy-5,6-Dimethyl-3-[(5-Phenyl-2-Pentanyl)Oxy]-5,6,6A,7,8,9,10,10A-Octahydro-1-Phenanthridinyl Acetate
Properties
Property | Value |
---|---|
Formula | C28H37NO4 |
IUPAC Name | [(5s,6s,6ar,9r,10as)-9-hydroxy-5,6-dimethyl-3-[(1s)-1-methyl-4-phenyl-butoxy]-6a,7,8,9,10,10a-hexahydro-6h-phenanthridin-1-yl] acetate |
Molecular Mass | 451.598 g·mol−1 |
Heat of Formation | -290.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.98 ± 1.08 D |
Volume | 561.87 Å 3 |
Surface Area | 468.19 Å 2 |
HOMO Energy | -8.00 ± 0.55 eV |
LUMO Energy | -0.41 ± eV |
Point Group Symmetry | C1 |
InChIKey | TYTNJHKTKQNNKL-RFQYJGCESA-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 |