Geometry & MOs

Info

ID:	21517
PubChem CID:	588831
Reduced:	ClO2H6N7C8 (1)
Stoich.:	AB2C6D7E8 (1)
Weight, g/mol:	267.02715
ΔH_f, kcal/mol:	129.32
Dipole, Da:	1.98
IP(EA), eV:	-9.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-chloro-2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=NC(=NO2)C3=NON=C3N

DOS

IR

Vibrations