Geometry & MOs

Info

ID:	294098
PubChem CID:	117427093
Reduced:	ClNO2F3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	269.025499
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	0.78
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-fluoro-3,6-dimethylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(F)(F)F)CCON)Cl

DOS

IR

Vibrations