(4Bs,7R,8Ar)-4B-Benzyl-7-Hydroxy-7-(1-Propyn-1-Yl)-N-(3-Pyridinylmethyl)-4B,5,6,7,8,8A,9,10-Octahydro-2-Phenanthrenecarboxamide
Properties
Property | Value |
---|---|
Formula | C31H32N2O2 |
IUPAC Name | (4bs,7r,8ar)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-n-(3-pyridylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide |
Molecular Mass | 464.598 g·mol−1 |
Heat of Formation | 42.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.69 ± 1.08 D |
Volume | 579.77 Å 3 |
Surface Area | 468.25 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | 2.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | SEOPOTXFVGEDGX-UPHHSBJESA-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 |