Geometry & MOs

Info

ID:	389315
PubChem CID:	134992208
Reduced:	LiNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	569.055757
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	5.42
IP(EA), eV:	-6.99(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(3+);5,10,15,20-tetramethylporphyrin-22,24-diide;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[Li+].C[C@@H](C1=CC=CC=C1)[N-]CCCOC

DOS

IR

Vibrations