Geometry & MOs

Info

ID:	168029
PubChem CID:	74914642
Reduced:	N2O4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	478.189257
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	4.31
IP(EA), eV:	-8.61(-0.53)
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-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=CC=N1)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)OC)OC

DOS

IR

Vibrations