Geometry & MOs

Info

ID:	144320
PubChem CID:	53350276
Reduced:	FeS2N4F6O6C16H32 (1)
Stoich.:	AB2C4D6E6F16G32 (1)
Weight, g/mol:	720.09218
ΔH_f, kcal/mol:	-546.89
Dipole, Da:	3.4
IP(EA), eV:	-8.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1CCCN(CCN(CCCN(CC1)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

DOS

IR

Vibrations