Geometry & MOs

Info

ID:	168060
PubChem CID:	74919045
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	3.34
IP(EA), eV:	-8.59(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C=C(C)C2=C(C(=C3C(=C2)C(=CO3)C)C)OC

DOS

IR

Vibrations