Geometry & MOs

Info

ID:

15600

PubChem CID:

445380

Reduced:

NiN8H36C44 (1)

Stoich.:

AB8C36D44 (1)

Weight, g/mol:

734.241635

ΔHf, kcal/mol:

585.62

Dipole, Da:

19.47

IP(EA), eV:

 -5.48(-3.87)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

nickel(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)[N-]3.[Ni+2]

DOS

IR

Vibrations