Geometry & MOs

Info

ID:	14065
PubChem CID:	403296
Reduced:	O2C7H7N9 (1)
Stoich.:	A2B7C7D9 (1)
Weight, g/mol:	249.072271
ΔH_f, kcal/mol:	162.84
Dipole, Da:	1.68
IP(EA), eV:	-9.56(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=NON=C2N)C3=NON=C3N

DOS

IR

Vibrations