1-{1-[(2S)-2-(2,3-Dihydro-1,4-Benzodioxin-2-Yl)-2-Hydroxyethyl]-4-Piperidinyl}-1,3-Dihydro-2H-Benzimidazol-2-One
Properties
| Property | Value |
|---|---|
| Formula | C22H25N3O4 |
| IUPAC Name | 1-[1-[(2s)-2-[(3r)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-hydroxy-ethyl]-4-piperidyl]benzimidazole-1,3-diium-2-one |
| Molecular Mass | 395.452 g·mol−1 |
| Heat of Formation | -448.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.32 ± 1.08 D |
| Volume | 461.23 Å 3 |
| Surface Area | 399.12 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -0.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZBPOBVZNVTZLGP-GHTZIAJQSA-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 |