Geometry & MOs

Info

ID:	41129
PubChem CID:	8145308
Reduced:	ON2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	402.118418
ΔH_f, kcal/mol:	54.01
Dipole, Da:	4.1
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations