(1S,3R,5R,7S,8S,9S,12R,13S)-7-Fluoro-12-Methyl-8-(4-Methylpiperazin-1-Yl)-4-Oxo-1-Azoniatricyclo[7.3.1.05,13]Tridecane-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C19H31FN3O3+ |
| IUPAC Name | (1s,3r,5r,7s,8s,9s,12r,13s)-7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azoniatricyclo[7.3.1.05,13]tridecane-3-carboxylic acid |
| Molecular Mass | 368.466 g·mol−1 |
| Heat of Formation | -547.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.31 ± 1.08 D |
| Volume | 416.05 Å 3 |
| Surface Area | 353.02 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JAWWKTPAEMUBNQ-CFHKAGRDSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |