Ethyl 4-[(3As,7As)-2-Hydroxy-3A,4,5,6,7,7A-Hexahydro-1H-Benzimidazol-1-Yl]-4'-Methyl-1,4'-Bipiperidine-1'-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H36N4O3 |
| IUPAC Name | ethyl 4-[4-[(3as,7as)-2-oxo-3a,4,5,6,7,7a-hexahydro-3h-benzimidazol-1-yl]-1-piperidyl]-4-methyl-piperidine-1-carboxylate |
| Molecular Mass | 392.536 g·mol−1 |
| Heat of Formation | -645.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.41 ± 1.08 D |
| Volume | 493.06 Å 3 |
| Surface Area | 403.46 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | 4.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IVJDEIANCSDDAO-ROUUACIJSA-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 |