1-[7-(3,4-Dimethoxyphenyl)-9-{[(3S)-1-Methyl-3-Piperidinyl]Methoxy}-2,3-Dihydro-1,4-Benzoxazepin-4(5H)-Yl]-1-Propanone
Properties
| Property | Value |
|---|---|
| Formula | C27H36N2O5 |
| IUPAC Name | 1-[7-(3,4-dimethoxyphenyl)-9-[[(1s,3r)-1-methyl-3-piperidyl]methoxy]-3,5-dihydro-2h-1,4-benzoxazepin-4-yl]propan-1-one |
| Molecular Mass | 468.585 g·mol−1 |
| Heat of Formation | -677.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.73 ± 1.08 D |
| Volume | 576.84 Å 3 |
| Surface Area | 494.41 Å 2 |
| HOMO Energy | -8.24 ± 0.55 eV |
| LUMO Energy | 2.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YKNAKDFZAWQEEO-LJQANCHMSA-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 |