(3Br,5R,9Ar)-5-(2-Methyl-2-Propanyl)-4,5,6,7,9,9A,10,15-Octahydro-3Bh-Benzo[5,6]Cyclohepta[1,2,3-De]Pyrido[2,1-A]Isoquinolin-5-Ol
Properties
Property | Value |
---|---|
Formula | C25H31NO |
IUPAC Name | 5-(2-methyl-2-propanyl)-4,5,6,7,9,9a,10,15-octahydro-3bh-benzo[5,6]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-5-ol |
Molecular Mass | 361.520 g·mol−1 |
Heat of Formation | -124.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.56 ± 1.08 D |
Volume | 460.01 Å 3 |
Surface Area | 372.04 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | 0.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | DAVHTUSZZYGLKT-XTJBDQBJSA-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 |