[4-(3,4-Difluorophenyl)-1-Piperazinyl]{(4S,4As,8Ar)-2-[3-(6-Methoxy-3-Pyridinyl)-2-Methylpropyl]Decahydro-4-Isoquinolinyl}Methanone
Properties
| Property | Value |
|---|---|
| Formula | C30H40F2N4O2 |
| IUPAC Name | [(2s,4s,4as,8ar)-2-[(2s)-3-(6-methoxypyridin-1-ium-3-id-3-yl)-2-methyl-propyl]-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone |
| Molecular Mass | 526.661 g·mol−1 |
| Heat of Formation | -557.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.47 ± 1.08 D |
| Volume | 641.65 Å 3 |
| Surface Area | 507.68 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | 2.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RDSAUPRYZCQORM-PLKPRKFZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |