Geometry & MOs

Info

ID:	168054
PubChem CID:	74917933
Reduced:	NO5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	441.194008
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	4.73
IP(EA), eV:	-8.24(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3-(4-methoxyphenyl)-1-benzofuran-5-yl]-N-(4-methylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations