Geometry & MOs

Info

ID:

11576

PubChem CID:

117883

Reduced:

N3O4H12C17 (1)

Stoich.:

A3B4C12D17 (1)

Weight, g/mol:

322.082781

ΔHf, kcal/mol:

79.02

Dipole, Da:

9.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.202251

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations