Geometry & MOs

Info

ID:	409397
PubChem CID:	135082178
Reduced:	NOLi3H14C22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	50.36
Dipole, Da:	15.96
IP(EA), eV:	-7.31(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(phenoxymethyl)-1,2-oxazol-2-ium;chloride

Drug info:

PubChemData

Smile

[Li+].[Li+].[Li+].CN=C(C12C3=CC=CC=C3C(C4=CC=C[C-]=C41)C5=CC=C[C-]=C25)[O-]

DOS

IR

Vibrations