Geometry & MOs

Info

ID:	372503
PubChem CID:	131298895
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	4.94
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(6-methylpyridin-2-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1(COC(=O)N1C2=CC=CC=C2O)C#N

DOS

IR

Vibrations