Geometry & MOs

Info

ID:	340996
PubChem CID:	127263431
Reduced:	ClN2O4C6H7 (1)
Stoich.:	AB2C4D6E7 (1)
Weight, g/mol:	300.06981
ΔH_f, kcal/mol:	-171.45
Dipole, Da:	6.89
IP(EA), eV:	-10.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CN1C=NC(=C1C(=O)O)C(=O)O.Cl

DOS

IR

Vibrations