Geometry & MOs

Info

ID:	292606
PubChem CID:	117355976
Reduced:	ClFNO3H5C10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	240.994199
ΔH_f, kcal/mol:	-87.68
Dipole, Da:	3.46
IP(EA), eV:	-10.31(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-3-fluorophenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)Cl)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations