Geometry & MOs

Info

ID:	250340
PubChem CID:	103095812
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	240.066555
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	5.22
IP(EA), eV:	-10.04(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=C(C=C2)[N+](=O)[O-])OC)Cl

DOS

IR

Vibrations