8-Hydroxy-4-Methyl-11,16-Dioxo-14,21-Didehydrosenecionan-4-Ium-12-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C21H28NO7+ |
IUPAC Name | (8xi,14z)-8-hydroxy-4-methyl-11,16-dioxo-14,21-didehydrosenecionan-4-ium-12-yl acetate |
Molecular Mass | 406.450 g·mol−1 |
Heat of Formation | 1444.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.94 ± 1.08 D |
Volume | 434.56 Å 3 |
Surface Area | 363.86 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | -1.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | NEHWGXHBNGZJNY-XGEHUAEVSA-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 |