5-{[(3S,4R)-4-(4-Fluorophenyl)-3-Piperidinyl]Methoxy}-1H-Isoindol-1-One
Properties
Property | Value |
---|---|
Formula | C20H19FN2O2 |
IUPAC Name | 5-[[(3s,4r)-4-(4-fluorophenyl)-3-piperidyl]methoxy]isoindol-1-one |
Molecular Mass | 338.375 g·mol−1 |
Heat of Formation | -167.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.22 ± 1.08 D |
Volume | 397.77 Å 3 |
Surface Area | 352.38 Å 2 |
HOMO Energy | -9.44 ± 0.55 eV |
LUMO Energy | 1.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | SVALMNHLKNCREX-YJBOKZPZSA-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 F |