Ergocryptine
Properties
| Property | Value |
|---|---|
| Formula | C32H41N5O5 |
| IUPAC Name | (2'beta,5'alpha,8alpha,11'alpha,12'beta)-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman |
| Molecular Mass | 575.698 g·mol−1 |
| Heat of Formation | -779.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.96 ± 1.08 D |
| Volume | 684.83 Å 3 |
| Surface Area | 504.92 Å 2 |
| HOMO Energy | -8.48 ± 0.55 eV |
| LUMO Energy | -0.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YDOTUXAWKBPQJW-KXWILECKSA-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 |