Geometry & MOs

Info

ID:	54171
PubChem CID:	14742234
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	168.101111
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	1.87
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-piperazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C(=C1SC)C)C)O

DOS

IR

Vibrations