(3As,4As,5S,7R,8As,9Ar)-5-Ethyl-8-Oxo-4,4A,5,6,7,8A,9,9A-Octahydro-3Ah-[1,3]Dioxolo[4,5-G]Quinolin-5-Ium-7-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C13H20NO5+ |
IUPAC Name | (3as,4as,5s,7r,8as,9ar)-5-ethyl-8-oxo-4,4a,5,6,7,8a,9,9a-octahydro-3ah-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid |
Molecular Mass | 270.302 g·mol−1 |
Heat of Formation | -640.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.44 ± 1.08 D |
Volume | 281.08 Å 3 |
Surface Area | 258.77 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | 2.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | NOQAMGFKCRWBJT-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |