Geometry & MOs

Info

ID:	168095
PubChem CID:	74923622
Reduced:	NO4C30H31 (1)
Stoich.:	AB4C30D31 (1)
Weight, g/mol:	469.225308
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	2.1
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-3-[6-ethoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC(=CC=C3)OC)C(=CC(=O)NC4=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations