[(8β,10Xi)-2-Chloroergolin-8-Yl]Acetonitrile
Properties
Property | Value |
---|---|
Formula | C16H16ClN3 |
IUPAC Name | 2-[(6ar,9s,10ar)-5-chloro-6a,7,8,9,10,10a-hexahydro-6h-indolo[4,3-fg]quinoline-4-ium-9-yl]acetonitrile |
Molecular Mass | 285.771 g·mol−1 |
Heat of Formation | 228.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.91 ± 1.08 D |
Volume | 336.59 Å 3 |
Surface Area | 295.35 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | -0.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | QSRIXAFISHOVGA-GLXFQSAKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N Cl |