Geometry & MOs

Info

ID:	168056
PubChem CID:	74917980
Reduced:	N2O4H30C31 (1)
Stoich.:	A2B4C30D31 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	5.91
IP(EA), eV:	-8.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)OC)C(=CC(=O)NCCC4=CNC5=CC=CC=C54)C

DOS

IR

Vibrations