Geometry & MOs

Info

ID:	168030
PubChem CID:	74914643
Reduced:	NO2H13C15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	478.189257
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)C=C(C)C3=C(C=C4C(=C3)C(=CO4)C5=CC=C(C=C5)OC)OC

DOS

IR

Vibrations