Geometry & MOs

Info

ID:	168059
PubChem CID:	74918992
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	5.02
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)NC3=CC(=CC=C3)Cl)C)OC)C

DOS

IR

Vibrations