(8β)-2-Butyl-6-Methyl-9,10-Didehydroergoline-8-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H25N3O |
| IUPAC Name | (6ar,7r,9s)-5-butyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-5-ylium-9-carboxamide |
| Molecular Mass | 323.432 g·mol−1 |
| Heat of Formation | -52.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.11 ± 1.08 D |
| Volume | 405.78 Å 3 |
| Surface Area | 352.63 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | 2.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WPUBLQOZLSDKAF-KPZWWZAWSA-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 |