Geometry & MOs

Info

ID:	19160
PubChem CID:	555833
Reduced:	O3N4H8C12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	256.05964
ΔH_f, kcal/mol:	107.6
Dipole, Da:	6.58
IP(EA), eV:	-9.43(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1-oxido-2-phenylbenzotriazol-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-]

DOS

IR

Vibrations