Geometry & MOs

Info

ID:	168076
PubChem CID:	74920956
Reduced:	NO4C28H33 (1)
Stoich.:	AB4C28D33 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	4.55
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-3-[6-methoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3CCCCCC3)C)C(=CO2)C4=CC(=CC=C4)OC

DOS

IR

Vibrations