Geometry & MOs

Info

ID:	254276
PubChem CID:	103123899
Reduced:	ClON4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	227.96467
ΔH_f, kcal/mol:	80.09
Dipole, Da:	7.15
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NN=C(O3)Cl

DOS

IR

Vibrations