Geometry & MOs

Info

ID:	294566
PubChem CID:	117471044
Reduced:	BrClFON2H5C9 (1)
Stoich.:	ABCDE2F5G9 (1)
Weight, g/mol:	290.991005
ΔH_f, kcal/mol:	-3.42
Dipole, Da:	3.67
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloro-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C2=NOC(=C2)N)Br)F)Cl

DOS

IR

Vibrations