Geometry & MOs

Info

ID:	254222
PubChem CID:	103123516
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	5.48
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=NN(C=C2)C)C3CC3

DOS

IR

Vibrations