2-Bromo-N,N-Diethyl-6-Methyl-9,10-Didehydroergoline-8-Carboxamide
Properties
Property | Value |
---|---|
Formula | C20H24BrN3O |
IUPAC Name | (6as,7s,9r)-5-bromo-n,n-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4-ium-9-carboxamide |
Molecular Mass | 402.328 g·mol−1 |
Heat of Formation | 49.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.96 ± 1.08 D |
Volume | 435.07 Å 3 |
Surface Area | 359.97 Å 2 |
HOMO Energy | -8.23 ± 0.55 eV |
LUMO Energy | 2.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | VKRAXSZEDRWLAG-PXAZEXFGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |