Geometry & MOs

Info

ID:	168100
PubChem CID:	74923627
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	498.215472
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	6.88
IP(EA), eV:	-8.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-[6-ethoxy-3-(2-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)NCCN(C)C)C

DOS

IR

Vibrations