(3S)-4-[(1R,4S)-5-Hydroxy-2-Methyl-2-Azabicyclo[2.2.2]Oct-5-Yl]-3-Methylbutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H23NO3 |
| IUPAC Name | (3s)-4-[(1r,2r,4r,5s)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methyl-butanoic acid |
| Molecular Mass | 241.327 g·mol−1 |
| Heat of Formation | -697.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.53 ± 1.08 D |
| Volume | 306.15 Å 3 |
| Surface Area | 257.29 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | 0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YWVYEZNFPRWGMM-UZWSLXQKSA-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 |