(3Ar,5R,7As)-5-[3-(4-Benzyl-1-Piperidyl)Prop-1-Ynyl]-1,3,3A,4,5,6,7,7A-Octahydrobenzimidazol-2-One
Properties
| Property | Value |
|---|---|
| Formula | C22H29N3O |
| IUPAC Name | (3ar,5r,7as)-5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one |
| Molecular Mass | 351.485 g·mol−1 |
| Heat of Formation | 62.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.12 ± 1.08 D |
| Volume | 451.95 Å 3 |
| Surface Area | 357.52 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 3.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JWANUPZQLFNEKV-HLAWJBBLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |