1-{2-[(1S)-1-(4-Chlorophenyl)-1-Phenylethoxy]Ethyl}Azepane
Properties
Property | Value |
---|---|
Formula | C22H28ClNO |
IUPAC Name | 1-[2-[(1s)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]azepane |
Molecular Mass | 357.917 g·mol−1 |
Heat of Formation | -91.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.97 ± 1.08 D |
Volume | 448.28 Å 3 |
Surface Area | 357.59 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | -0.29 ± eV |
Point Group Symmetry | C1 |
InChIKey | VBSPHZOBAOWFCL-QFIPXVFZSA-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 |