Geometry & MOs

Info

ID:

15349

PubChem CID:

438587

Reduced:

NNiO6C13H14 (1)

Stoich.:

ABC6D13E14 (1)

Weight, g/mol:

338.017454

ΔHf, kcal/mol:

-183.23

Dipole, Da:

9.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762745

Charge, e:

 0

Chem-info

IUPAC name:

nickel(3+);2-(2-oxidophenyl)azanidylbenzoate;trihydrate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)[O-])[N-]C2=CC=CC=C2[O-].O.O.O.[Ni+3]

DOS

IR

Vibrations