Geometry & MOs

Info

ID:	220071
PubChem CID:	85165208
Reduced:	O6C41H56 (1)
Stoich.:	A6B41C56 (1)
Weight, g/mol:	644.00079
ΔH_f, kcal/mol:	-218.4
Dipole, Da:	6.76
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-iodo-5,15-diphenylporphyrin-22,23-diide;nickel(2+)

Drug info:

PubChemData

Smile

CC(=CCC1CC2(C(=C(C(=O)C(C2=O)(C1(C)C)CC=C(C)C)C(=O)C3=CC(=C(C=C3)OC)OC)OC)CC(CC=C(C)C)C(=C)C)C

DOS

IR

Vibrations