Geometry & MOs

Info

ID:	8456
PubChem CID:	77851
Reduced:	N3O4H8C11 (1)
Stoich.:	A3B4C8D11 (1)
Weight, g/mol:	246.051481
ΔH_f, kcal/mol:	56.51
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.058308
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-dinitrophenyl)pyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations