Geometry & MOs

Info

ID:	291468
PubChem CID:	112472716
Reduced:	NO2Cl3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	262.93041
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	3.79
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-(2H-triazol-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(CCC(=O)O)CC(C1=CC(=C(C=C1)Cl)Cl)Cl

DOS

IR

Vibrations