(1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-(~11~C)Methyl-2-(3-Phenyl-1,2-Oxazol-5-Yl)-8-Azabicyclo[3.2.1]Octane
Properties
| Property | Value |
|---|---|
| Formula | C23H23ClN2O |
| IUPAC Name | 5-[(1r,3s,4r,5s,8r)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]-3-phenyl-isoxazole |
| Molecular Mass | 378.895 g·mol−1 |
| Heat of Formation | 231.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.29 ± 1.08 D |
| Volume | 459.14 Å 3 |
| Surface Area | 375.16 Å 2 |
| HOMO Energy | -9.21 ± 0.55 eV |
| LUMO Energy | -0.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZGCYMNJHHKQEGA-AMEVOLBXSA-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 Cl |