Geometry & MOs

Info

ID:	18549
PubChem CID:	542700
Reduced:	HC2O2N4 (2)
Stoich.:	AB2C2D4 (2)
Weight, g/mol:	226.019901
ΔH_f, kcal/mol:	183.04
Dipole, Da:	5.56
IP(EA), eV:	-10.87(-3.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dihydroxy-5-(5-nitro-1,2,4-triazol-3-ylidene)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1(=C2N=C(N=N2)[N+](=O)[O-])N=C(N=N1)N(O)O

DOS

IR

Vibrations