Geometry & MOs

Info

ID:	168086
PubChem CID:	74922377
Reduced:	NCl2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	462.194343
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	3.43
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)-N-quinolin-6-ylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C3=C(CCCC3)OC2=C1C)C(=CC(=O)NC4=C(C=CC(=C4)Cl)Cl)C

DOS

IR

Vibrations