(1R,3R,5R,7S,8R,9R,12R,13S)-7-Fluoro-8-(4-Hydroxy-1-Piperidyl)-12-Methyl-4-Oxo-1-Azoniatricyclo[7.3.1.05,13]Tridecane-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H30FN2O4+ |
IUPAC Name | (1r,3r,5r,7s,8r,9r,12r,13s)-7-fluoro-8-(4-hydroxy-1-piperidyl)-12-methyl-4-oxo-1-azoniatricyclo[7.3.1.05,13]tridecane-3-carboxylic acid |
Molecular Mass | 369.451 g·mol−1 |
Heat of Formation | -795.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.90 ± 1.08 D |
Volume | 410.14 Å 3 |
Surface Area | 345.23 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | 2.08 ± eV |
Point Group Symmetry | C1 |
InChIKey | FEXYCTJEGSAIPY-CPTLXILPSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |