N-[(1,6-Dimethyl-9,10-Didehydroergolin-6-Ium-8-Yl)Carbonyl]-1-Hydroxy-2-Butanaminium
Properties
| Property | Value |
|---|---|
| Formula | C21H27N3O2 |
| IUPAC Name | (6ar,9r)-n-[(1r)-1-(hydroxymethyl)propyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide |
| Molecular Mass | 353.458 g·mol−1 |
| Heat of Formation | -173.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.02 ± 1.08 D |
| Volume | 440.44 Å 3 |
| Surface Area | 382.63 Å 2 |
| HOMO Energy | -8.02 ± 0.55 eV |
| LUMO Energy | 2.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KPJZHOPZRAFDTN-SPYBWZPUSA-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 |