Geometry & MOs

Info

ID:

1358

PubChem CID:

4233

Reduced:

MnN8H36C44 (1)

Stoich.:

AB8C36D44 (1)

Weight, g/mol:

731.244336

ΔHf, kcal/mol:

452.71

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 6.287708

Charge, e:

 5

Chem-info

IUPAC name:

manganese(3+);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.[Mn+3]

DOS

IR

Vibrations