Geometry & MOs

Info

ID:	293173
PubChem CID:	117375692
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	1.52
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-4-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(C=CC=C1OC)C2=NOC(=N2)CN

DOS

IR

Vibrations