1-Ethyl-6,8-Difluoro-4-Oxo-7-(3H-Pyridin-1-Ium-3-Id-4-Yl)-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H22F2N2O3+
IUPAC Name 1-ethyl-6,8-difluoro-4-oxo-7-(3h-pyridin-1-ium-3-id-4-yl)-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 340.365 g·mol−1
Heat of Formation -607.4 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 354.4 Å 3
Surface Area 313.96 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey OZCGKOGADRKZBS-UHFFFAOYSA-O
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