Geometry & MOs

Info

ID:	168051
PubChem CID:	74917338
Reduced:	FNO3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	499.22712
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	6.24
IP(EA), eV:	-8.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3-(4-fluorophenyl)-1-benzofuran-5-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)F)C(=CC(=O)NC4CCCCCC4)C

DOS

IR

Vibrations