[(6R,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-Tetrahydro-5H-Cyclohepta[B]Pyridin-9-Yl] 4-(2-Oxo-3H-Imidazo[4,5-B]Pyridin-1-Yl)Piperidine-1-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C28H27F2N5O3 |
| IUPAC Name | [(6r,9r)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-1-ium-4a-id-9-yl] 4-(2-oxo-6h-imidazo[4,5-b]pyridin-4-ium-6-id-1-yl)piperidine-1-carboxylate |
| Molecular Mass | 519.542 g·mol−1 |
| Heat of Formation | -572.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.73 ± 1.08 D |
| Volume | 587.64 Å 3 |
| Surface Area | 484.14 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | 2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VUNYPRIWWJSQTR-UZUQRXQVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |