(3Ar,7Ar)-3A-[3-(5-Chloro-3-Pyridinyl)Phenyl]-3A,4,5,6,7,7A-Hexahydro-1,3-Benzoxazol-2-Amine
Properties
| Property | Value |
|---|---|
| Formula | C18H18ClN3O |
| IUPAC Name | (3ar,7ar)-3a-[3-(5-chloro-3-pyridyl)phenyl]-5,6,7,7a-tetrahydro-4h-1,3-benzoxazol-2-amine |
| Molecular Mass | 327.808 g·mol−1 |
| Heat of Formation | 62.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.94 ± 1.08 D |
| Volume | 376.58 Å 3 |
| Surface Area | 330.3 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | 2.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NVRCQOQFKIFZLP-SJLPKXTDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl O N |