2-Chloro-6-Methylergoline-8B-Acetonitrile
Properties
| Property | Value |
|---|---|
| Formula | C17H18ClN3 |
| IUPAC Name | 2-[(6ar,9s,10ar)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]acetonitrile |
| Molecular Mass | 299.798 g·mol−1 |
| Heat of Formation | 231.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.34 ± 1.08 D |
| Volume | 354.39 Å 3 |
| Surface Area | 308.22 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -0.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JKAHWGPTNVUTNB-ITDIGPHOSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N Cl |