Geometry & MOs

Info

ID:	228546
PubChem CID:	87565261
Reduced:	H3O4N5C6 (1)
Stoich.:	A3B4C5D6 (1)
Weight, g/mol:	209.018504
ΔH_f, kcal/mol:	97.11
Dipole, Da:	5.82
IP(EA), eV:	-10.9(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dinitro-2H-benzotriazole

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)[N+](=O)[O-])N=NN2[N+](=O)[O-]

DOS

IR

Vibrations