Geometry & MOs

Info

ID:	168026
PubChem CID:	74914300
Reduced:	NO5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	485.220223
ΔH_f, kcal/mol:	-109.54
Dipole, Da:	5.2
IP(EA), eV:	-8.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4=C(C=C(C=C4)OC)OC)C)OC

DOS

IR

Vibrations