Geometry & MOs

Info

ID:	250350
PubChem CID:	103095914
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	326.024531
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	4.53
IP(EA), eV:	-9.55(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=C(O2)C)Cl

DOS

IR

Vibrations