Geometry & MOs

Info

ID:	168028
PubChem CID:	74914381
Reduced:	NO2C15H15 (2)
Stoich.:	AB2C15D15 (2)
Weight, g/mol:	414.157957
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	3.76
IP(EA), eV:	-7.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-5-yl]-N-pyridin-2-ylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)NC4=CC=C(C=C4)N5CCOCC5)C)OC

DOS

IR

Vibrations