Geometry & MOs

Info

ID:	168031
PubChem CID:	74914644
Reduced:	NO2H13C15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	431.153286
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	4.54
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C=C(C)C3=C(C=C4C(=C3)C(=CO4)C5=CC=C(C=C5)OC)OC

DOS

IR

Vibrations