Geometry & MOs

Info

ID:	168102
PubChem CID:	74924253
Reduced:	NO3H29C32 (1)
Stoich.:	AB3C29D32 (1)
Weight, g/mol:	475.214744
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.16
IP(EA), eV:	-8.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-ethoxy-7-methyl-3-naphthalen-1-yl-1-benzofuran-5-yl)-N-(4-methylphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC=CC4=CC=CC=C43)C(=CC(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations