Geometry & MOs

Info

ID:	168043
PubChem CID:	74915128
Reduced:	NO6H25C28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-148.58
Dipole, Da:	7.52
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-3-[3-(4-ethoxyphenyl)-6-methoxy-1-benzofuran-5-yl]but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)C(=O)OC)C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4OC)OC

DOS

IR

Vibrations