(8β)-N,6-Dimethyl-N-(2-Propyn-1-Yl)-9,10-Didehydroergoline-8-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H21N3O |
| IUPAC Name | (6ar,7r,9r)-n,7-dimethyl-n-prop-2-ynyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide |
| Molecular Mass | 319.400 g·mol−1 |
| Heat of Formation | 346.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.87 ± 1.08 D |
| Volume | 357.38 Å 3 |
| Surface Area | 306.47 Å 2 |
| HOMO Energy | -8.23 ± 0.55 eV |
| LUMO Energy | -0.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NTIBYWGZNANJNM-RDTXWAMCSA-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 |