Geometry & MOs

Info

ID:	250348
PubChem CID:	103095909
Reduced:	ClF2N2O2C13H13 (1)
Stoich.:	AB2C2D2E13F13 (1)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-121.65
Dipole, Da:	1.82
IP(EA), eV:	-9.93(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC(=CC=C2)OC(F)F)Cl

DOS

IR

Vibrations