Geometry & MOs

Info

ID:	14938
PubChem CID:	424891
Reduced:	FeN2O10C22H26 (1)
Stoich.:	AB2C10D22E26 (1)
Weight, g/mol:	534.093681
ΔH_f, kcal/mol:	-289.35
Dipole, Da:	8.02
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanoic acid;iron

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NC(CO)C(=O)O)O.COC1=C(C=CC(=C1)C=NC(CO)C(=O)O)O.[Fe]

DOS

IR

Vibrations