Geometry & MOs

Info

ID:	293166
PubChem CID:	117375306
Reduced:	N3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	249.080121
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	3.41
IP(EA), eV:	-8.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=CC(=O)/C(=C/3\NOC(=N3)CN)/C=C2O1

DOS

IR

Vibrations