Geometry & MOs

Info

ID:	250290
PubChem CID:	103095364
Reduced:	ClN2O2C10H17 (1)
Stoich.:	AB2C2D10E17 (1)
Weight, g/mol:	296.090325
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	4.99
IP(EA), eV:	-10.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)COC(C)(C)C)Cl

DOS

IR

Vibrations