Geometry & MOs

Info

ID:	250291
PubChem CID:	103095366
Reduced:	ClON2F3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	281.056719
ΔH_f, kcal/mol:	-182.45
Dipole, Da:	3.69
IP(EA), eV:	-10.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CCCCC2C(F)(F)F)Cl

DOS

IR

Vibrations