Geometry & MOs

Info

ID:	391940
PubChem CID:	135011171
Reduced:	ON4C28H30 (1)
Stoich.:	AB4C28D30 (1)
Weight, g/mol:	494.161653
ΔH_f, kcal/mol:	109.34
Dipole, Da:	3.37
IP(EA), eV:	-7.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nickel(2+);3,3,7,8,12,13,17,18-octamethylporphyrin-22,24-diid-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)C)C)C)C(C3=O)(C)C)C

DOS

IR

Vibrations