(5Xi,10Xi)-8-(Iodomethyl)-6-Propylergoline
Properties
| Property | Value |
|---|---|
| Formula | C18H23IN2 |
| IUPAC Name | (6ar,7s,9r,10as)-9-(iodomethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-1h-indolo[4,3-fg]quinoline-4-ium-1-ide |
| Molecular Mass | 394.293 g·mol−1 |
| Heat of Formation | 153.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.06 ± 1.08 D |
| Volume | 388.11 Å 3 |
| Surface Area | 326.49 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | 0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YUYNFFCUUGBSOR-YLQAJVPDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C N |