Geometry & MOs

Info

ID:	12013
PubChem CID:	125975
Reduced:	CoN8H32C44 (1)
Stoich.:	AB8C32D44 (1)
Weight, g/mol:	731.208187
ΔH_f, kcal/mol:	306.71
Dipole, Da:	59.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.915635
Charge, e:	0

Chem-info

IUPAC name:

cobalt(2+);2-[10,15,20-tris(2-aminophenyl)porphyrin-22,24-diid-5-yl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7N)C8=CC=CC=C8N)C=C4)C9=CC=CC=C9N)[N-]3)N.[Co+2]

DOS

IR

Vibrations