Geometry & MOs

Info

ID:	253974
PubChem CID:	103121941
Reduced:	BrOH4N5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	184.015188
ΔH_f, kcal/mol:	105.2
Dipole, Da:	3.25
IP(EA), eV:	-9.75(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC(=NO3)Br)C=N1

DOS

IR

Vibrations