Geometry & MOs

Info

ID:	6594
PubChem CID:	69159
Reduced:	N3O4H9C12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	259.059306
ΔH_f, kcal/mol:	35.09
Dipole, Da:	5.44
IP(EA), eV:	-9.47(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-(4-nitrophenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations