(3R,4As,13Br)-3-(2-Methyl-2-Propanyl)-2,3,4,4A,8,9,13B,14-Octahydro-1H-Benzo[6,7]Cyclohepta[1,2,3-De]Pyrido[2,1-A]Isoquinolin-3-Ol
Properties
Property | Value |
---|---|
Formula | C25H31NO |
IUPAC Name | (3r,4ar,13br)-3-(2-methyl-2-propanyl)-2,3,4,4a,8,9,13b,14-octahydro-1h-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol |
Molecular Mass | 361.520 g·mol−1 |
Heat of Formation | -112.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.61 ± 1.08 D |
Volume | 457.19 Å 3 |
Surface Area | 361.12 Å 2 |
HOMO Energy | -8.53 ± 0.55 eV |
LUMO Energy | 0.48 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZZJYIKPMDIWRSN-SLSDLSHTSA-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 |