Geometry & MOs

Info

ID:	250295
PubChem CID:	103095404
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	230.082205
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	3.85
IP(EA), eV:	-9.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C2=NC(=NO2)C(CC)Cl

DOS

IR

Vibrations