Geometry & MOs

Info

ID:	294494
PubChem CID:	117464295
Reduced:	ClFNO5H7C11 (1)
Stoich.:	ABCD5E7F11 (1)
Weight, g/mol:	287.016077
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	8.63
IP(EA), eV:	-9.31(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1O)Cl)F)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations