Geometry & MOs

Info

ID:	412365
PubChem CID:	135085255
Reduced:	IrOP2C20H38 (1)
Stoich.:	ABC2D20E38 (1)
Weight, g/mol:	778.101682
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	19.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753880
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-N-dimethyl-1-N,2-N-bis(2-methylquinolin-8-yl)cyclohexane-1,2-diamine;iron(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

[CH3-].CC(C)[PH+](CC1=[C-]C(=CC=C1)O[PH+](C(C)C)C(C)C)C(C)C.[Ir]

DOS

IR

Vibrations