(1S,3S,5S)-2-{(2S)-2-Amino-2-[(1R,3R,5R,7S)-3-Hydroxyadamantan-1-Yl]Acetyl}-2-Azabicyclo[3.1.0]Hexane-3-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C18H25N3O2 |
| IUPAC Name | (1r,3r,5r)-4-[(2r)-2-amino-2-[(5r,7s)-3-hydroxy-1-adamantyl]acetyl]-4-azabicyclo[3.1.0]hexane-3-carbonitrile |
| Molecular Mass | 315.410 g·mol−1 |
| Heat of Formation | -221.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.25 ± 1.08 D |
| Volume | 389.03 Å 3 |
| Surface Area | 299.87 Å 2 |
| HOMO Energy | -9.56 ± 0.55 eV |
| LUMO Energy | 0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QGJUIPDUBHWZPV-DXYUHQBZSA-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 |