Geometry & MOs

Info

ID:	168036
PubChem CID:	74914790
Reduced:	NO2H14C15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	470.184172
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	4.03
IP(EA), eV:	-8.5(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC(=O)NCCC1=CNC2=CC=CC=C21)C3=C(C=C4C(=C3)C(=CO4)C5=CC=C(C=C5)OC)OC

DOS

IR

Vibrations