Ethyl (9S)-9-[3-(1H-Benzimidazol-2-Yloxy)Phenyl]-8-Oxo-4,5,6,7,8,9-Hexahydro-2H-Pyrrolo[3,4-B]Quinoline-3-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C27H24N4O4 |
| IUPAC Name | ethyl (9r)-9-[3-(benzimidazol-1-ium-3a-ylium-2-yloxy)phenyl]-8-oxo-5,6,7,9-tetrahydro-4h-pyrrolo[3,4-b]quinolin-2-ium-9a-ide-3-carboxylate |
| Molecular Mass | 468.504 g·mol−1 |
| Heat of Formation | -227.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.06 ± 1.08 D |
| Volume | 533.78 Å 3 |
| Surface Area | 462.8 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | 2.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YXMQIWJYPNBZJS-QFIPXVFZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |