1-Cyclopropyl-6-Fluoro-7-(4-Hydroxyphenyl)-4-Oxo-Quinolin-1-Ium-3-Carboxylic Acid

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Formula C19H29FNO4+
IUPAC Name (1r,3s,4as,6r,7r,8ar)-1-cyclopropyl-6-fluoro-7-(4-hydroxycyclohexyl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid
Molecular Mass 354.436 g·mol−1
Heat of Formation -544.8 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 376.3 Å 3
Surface Area 334.73 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey FXUFLWHNBBCOHF-UHFFFAOYSA-O
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Elements H C N O F