Geometry & MOs

Info

ID:	9172
PubChem CID:	86938
Reduced:	FeN2O7C10H15 (1)
Stoich.:	AB2C7D10E15 (1)
Weight, g/mol:	331.022861
ΔH_f, kcal/mol:	-308.37
Dipole, Da:	9.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.644035
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;iron(3+)

Drug info:

PubChemData

Smile

C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Fe+3]

DOS

IR

Vibrations