Geometry & MOs

Info

ID:	231847
PubChem CID:	87574769
Reduced:	FeNO5C7H14 (1)
Stoich.:	ABC5D7E14 (1)
Weight, g/mol:	231.019394
ΔH_f, kcal/mol:	-188.15
Dipole, Da:	12.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767319
Charge, e:	0

Chem-info

IUPAC name:

iron;2-oxo-2-[2-(trimethylazaniumyl)ethoxy]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations