(3R)-2-[5-(4-Methoxycyclohexyl)Pyrimidine-1,3-Diium-5-Id-2-Yl]-3-(3,4,6,7-Tetrahydro-2H-Benzofuran-3A,4,5,6,7,7A-Hexaid-5-Yl)-3,4,5,6,7,8-Hexahydro-1H-Pyrrolo[3,4-B]Quinoline-3A,4A,5,6,7,8,8A,9A-Octaid-9-One
Properties
| Property | Value |
|---|---|
| Formula | C30H51N4O3+ |
| IUPAC Name | (2r,3r,3as,4as,8as,9ar)-3-[(3as,5r,7as)-2,3,3a,4,5,6,7,7a-octahydrobenzofuran-5-yl]-2-[5-(4-methoxycyclohexyl)hexahydropyrimidin-2-yl]-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-1h-pyrrolo[3,4-b]quinolin-4-ium-9-one |
| Molecular Mass | 515.751 g·mol−1 |
| Heat of Formation | 99.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.79 ± 1.08 D |
| Volume | 559.1 Å 3 |
| Surface Area | 487.39 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DUQDTDOTUCCXCV-YGSAGDLDSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |