1-Cyclopropyl-7-[(3S,5R)-3,5-Dimethylpiperazin-1-Yl]-5,6,8-Trifluoro-4-Oxo-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H29F3N3O3+ |
IUPAC Name | (1s,3s,4ar,5s,6r,7s,8r,8as)-1-cyclopropyl-7-[(3s,5r)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-3-carboxylic acid |
Molecular Mass | 404.447 g·mol−1 |
Heat of Formation | -793.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.60 ± 1.08 D |
Volume | 432.47 Å 3 |
Surface Area | 368.96 Å 2 |
HOMO Energy | -9.03 ± 0.55 eV |
LUMO Energy | 1.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | LEEGDHGFDSJJEN-JHSJVTLWSA-O |
QR Code | Generate QR Code |
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Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |