4-(4-(4-Chlorophenyl)-4-Hydroxyazepan-1-Yl)-1-(4-Fluorophenyl)Butan-1-One
Properties
Property | Value |
---|---|
Formula | C22H25ClFNO2 |
IUPAC Name | 4-[(4r)-4-(4-chlorophenyl)-4-hydroxy-azepan-1-yl]-1-(4-fluorophenyl)butan-1-one |
Molecular Mass | 389.891 g·mol−1 |
Heat of Formation | -450.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.16 ± 1.08 D |
Volume | 463.7 Å 3 |
Surface Area | 359.24 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | 2.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | JJXYNELAGRWXFC-JOCHJYFZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |