N-Allyl-6-Chloro-1-(3-Methylphenyl)-2,3,4,5-Tetrahydro-3-Benzazepinium-7,8-Diol
Properties
| Property | Value |
|---|---|
| Formula | C20H22ClNO2 |
| IUPAC Name | (1r)-3-allyl-6-chloro-1-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol |
| Molecular Mass | 343.847 g·mol−1 |
| Heat of Formation | -170.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.71 ± 1.08 D |
| Volume | 411.42 Å 3 |
| Surface Area | 355.01 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HLNOXCRCYMOMLA-QGZVFWFLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |