Benzyl {[(8α,10Beta)-1,6-Dimethylergolin-8-Yl]Methyl}Carbamate
Properties
Property | Value |
---|---|
Formula | C25H29N3O2 |
IUPAC Name | benzyl n-[[(6ar,7s,9r,10as)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-9-yl]methyl]carbamate |
Molecular Mass | 403.517 g·mol−1 |
Heat of Formation | -128.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.78 ± 1.08 D |
Volume | 499.33 Å 3 |
Surface Area | 386.28 Å 2 |
HOMO Energy | -8.06 ± 0.55 eV |
LUMO Energy | 0.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | WZHJKEUHNJHDLS-RZFNWQHOSA-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 |