Geometry & MOs

Info

ID:	250305
PubChem CID:	103095540
Reduced:	ClON2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	272.04986
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	3.34
IP(EA), eV:	-10.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations