Geometry & MOs

Info

ID:	3190
PubChem CID:	9303
Reduced:	I2N2O5C11H16 (1)
Stoich.:	A2B2C5D11E16 (1)
Weight, g/mol:	509.91487
ΔH_f, kcal/mol:	-171.66
Dipole, Da:	10.03
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-hydroxyethyl)azanium;2-(3,5-diiodo-4-oxopyridin-1-yl)acetate

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CN1CC(=O)[O-])I)I.C(CO)[NH2+]CCO

DOS

IR

Vibrations