(8α,9Beta)-6,8-Dimethylergolin-9-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C18H22N2O2 |
IUPAC Name | [(6ar,9r,10s,10ar)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-10-yl] acetate |
Molecular Mass | 298.379 g·mol−1 |
Heat of Formation | 2439.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.00 ± 1.08 D |
Volume | 300.65 Å 3 |
Surface Area | 272.54 Å 2 |
HOMO Energy | -9.36 ± 0.55 eV |
LUMO Energy | -2.84 ± eV |
Point Group Symmetry | Cs |
InChIKey | GJSSYQDXZLZOLR-OKGDGOIHSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |