Geometry & MOs

Info

ID:	250289
PubChem CID:	103095359
Reduced:	ClON2S2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	232.097856
ΔH_f, kcal/mol:	23.96
Dipole, Da:	3.05
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC3=C(S2)CCSC3)Cl

DOS

IR

Vibrations