Geometry & MOs

Info

ID:	168044
PubChem CID:	74915169
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-144.74
Dipole, Da:	5.99
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-6-methoxy-1-benzofuran-5-yl]-N-prop-2-enylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCN(CC4)C(=O)C)C)OC

DOS

IR

Vibrations