Geometry & MOs

Info

ID:	168081
PubChem CID:	74921514
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	485.220223
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	3.69
IP(EA), eV:	-8.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,5-dimethoxyphenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(2-ethylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)C=C(C)C1=C(C(=C2C(=C1)C(=CO2)C3=C(C=CC(=C3)OC)OC)C)OC

DOS

IR

Vibrations