Geometry & MOs

Info

ID:	168033
PubChem CID:	74914787
Reduced:	NO4H25C27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	427.178358
ΔH_f, kcal/mol:	-69.85
Dipole, Da:	3.03
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)OC)OC

DOS

IR

Vibrations