(3S,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
Properties
| Property | Value |
|---|---|
| Formula | C25H31NO |
| IUPAC Name | (3s,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 | -124.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.56 ± 1.08 D |
| Volume | 456.04 Å 3 |
| Surface Area | 359.39 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZZJYIKPMDIWRSN-RQTOMXEWSA-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 |