[(8α,10Beta)-10-Methoxy-1,6-Dimethylergolin-8-Yl]Methyl 5-Bromonicotinate
Properties
| Property | Value |
|---|---|
| Formula | C24H26BrN3O3 |
| IUPAC Name | [(6ar,7s,9s,10ar)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]methyl 5-bromopyridin-1-ium-5-ide-3-carboxylate |
| Molecular Mass | 484.386 g·mol−1 |
| Heat of Formation | -180.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.64 ± 1.08 D |
| Volume | 520.96 Å 3 |
| Surface Area | 436.0 Å 2 |
| HOMO Energy | -8.20 ± 0.55 eV |
| LUMO Energy | 1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YSEXMKHXIOCEJA-BXKTYXQLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Br O N |