Methyl (1R,2R,3S,5S)-3-[(3-Hydroxybenzoyl)Oxy]-8-(~2~H_3_)Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C17H21NO5 |
| IUPAC Name | methyl (1r,2s,3s,5s)-3-(3-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Molecular Mass | 319.352 g·mol−1 |
| Heat of Formation | -807.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.94 ± 1.08 D |
| Volume | 377.78 Å 3 |
| Surface Area | 318.05 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IQXBUEUAOWARGT-ATGSNQNLSA-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 |