(8β,10Xi)-6-Methyl-8-(1H-1,2,4-Triazol-1-Ylmethyl)Ergoline
Properties
| Property | Value |
|---|---|
| Formula | C18H21N5 |
| IUPAC Name | (6ar,9s,10ar)-7-methyl-9-(1,2,4-triazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinoline |
| Molecular Mass | 307.393 g·mol−1 |
| Heat of Formation | 378.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.40 ± 1.08 D |
| Volume | 374.42 Å 3 |
| Surface Area | 313.94 Å 2 |
| HOMO Energy | -8.32 ± 0.55 eV |
| LUMO Energy | 0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AIBHLZVVPXCTKY-ISTRZQFTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |