Phenyl (1S,2S,3S,5S)-3-[4-(~123~I)Iodophenyl]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H22INO2 |
| IUPAC Name | phenyl (1r,3r,4s,5s,8r)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Molecular Mass | 447.309 g·mol−1 |
| Heat of Formation | -100.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 441.46 Å 3 |
| Surface Area | 347.23 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YGQAUDOSACJSSX-GTAWCEEGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | I H C O N |