Geometry & MOs

Info

ID:	147789
PubChem CID:	53787447
Reduced:	SSiO4C24H36 (1)
Stoich.:	ABC4D24E36 (1)
Weight, g/mol:	413.155785
ΔH_f, kcal/mol:	-219.03
Dipole, Da:	3.07
IP(EA), eV:	-8.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CCCCCC=CC(C1C(CC(=O)C1C(=O)OC)O[Si](C)(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations