Geometry & MOs

Info

ID:	254025
PubChem CID:	103122284
Reduced:	N3O3H7C11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	7.04
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC(=CO3)C(=O)O

DOS

IR

Vibrations