Geometry & MOs

Info

ID:	424211
PubChem CID:	135121750
Reduced:	ClNOC7H8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	212.053492
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	4.02
IP(EA), eV:	-9.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

sodium;ethyl 3-methyl-5-oxo-2H-1,2-oxazole-4-carboxylate;hydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC(=N2)CC(C(=O)O)N.Cl.Cl

DOS

IR

Vibrations