Geometry & MOs

Info

ID:	250294
PubChem CID:	103095402
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	240.066555
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	1.92
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2COC3=CC=CC=C23)Cl

DOS

IR

Vibrations