Geometry & MOs

Info

ID:	4027
PubChem CID:	10613
Reduced:	NH2C3O3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	200.006936
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	6.2
IP(EA), eV:	-10.67(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitrobenzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O

DOS

IR

Vibrations