Trans-4-Methoxycyclohexyl (8β)-1-Isopropyl-6-Methylergoline-8-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C26H36N2O3 |
| IUPAC Name | (4-methoxycyclohexyl) (6ar,7r,9r,10ar)-4-isopropyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-carboxylate |
| Molecular Mass | 424.576 g·mol−1 |
| Heat of Formation | -496.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.50 ± 1.08 D |
| Volume | 536.49 Å 3 |
| Surface Area | 455.14 Å 2 |
| HOMO Energy | -8.07 ± 0.55 eV |
| LUMO Energy | 0.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RJBJIKXTJIZONR-HSWWXKJFSA-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 |