Geometry & MOs

Info

ID:	250366
PubChem CID:	103096060
Reduced:	ClON2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	256.059025
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	3.44
IP(EA), eV:	-10.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations