Geometry & MOs

Info

ID:	426812
PubChem CID:	135154002
Reduced:	ClN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	411.069592
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	2.74
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-chlorothiophen-2-yl)-5-(2-methoxypyridin-4-yl)-1-benzofuran-2-yl]butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1N2CCC(CC2)OC3=CC4=C(COC4)C=C3)Cl)C(=O)OC

DOS

IR

Vibrations