Geometry & MOs

Info

ID:	254031
PubChem CID:	103122323
Reduced:	OH6N8C10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	217.071208
ΔH_f, kcal/mol:	170.47
Dipole, Da:	3.7
IP(EA), eV:	-9.78(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC(=NO3)C4=NC=NN4)C=N1

DOS

IR

Vibrations