Geometry & MOs

Info

ID:	250342
PubChem CID:	103095833
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	268.077869
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	1.64
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2CCOC3=CC=CC=C23)Cl

DOS

IR

Vibrations