Geometry & MOs

Info

ID:	11452
PubChem CID:	115728
Reduced:	NNaO3C8H12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	193.071488
ΔH_f, kcal/mol:	-170.96
Dipole, Da:	13.2
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-butyl-5-methyl-4-oxo-1,3-oxazol-2-olate

Drug info:

PubChemData

Smile

CCCCC1(C(=O)N=C(O1)[O-])C.[Na+]

DOS

IR

Vibrations