4-[(5Xi)-9,10-Didehydroergolin-8-Ylmethyl]-2,6-Piperazinedione
Properties
| Property | Value |
|---|---|
| Formula | C19H20N4O2 |
| IUPAC Name | 4-[[(6as,9r)-6a,7,8,9-tetrahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]methyl]piperazine-2,6-dione |
| Molecular Mass | 336.388 g·mol−1 |
| Heat of Formation | -54.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.84 ± 1.08 D |
| Volume | 390.77 Å 3 |
| Surface Area | 339.54 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SOSJSMNIBOSKML-BZNIZROVSA-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 |