Geometry & MOs

Info

ID:	130417
PubChem CID:	51075879
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	3.85
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations