3-(4-Phenylbutyl)-2,3,4,5-Tetrahydro-1H-3-Benzazepine-1,7-Diol
Properties
Property | Value |
---|---|
Formula | C20H25NO2 |
IUPAC Name | (1r)-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepine-1,7-diol |
Molecular Mass | 311.418 g·mol−1 |
Heat of Formation | -245.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.04 ± 1.08 D |
Volume | 398.01 Å 3 |
Surface Area | 358.99 Å 2 |
HOMO Energy | -8.83 ± 0.55 eV |
LUMO Energy | 0.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | KKLZGWQBNXJWGZ-FQEVSTJZSA-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 |