Geometry & MOs

Info

ID:	294099
PubChem CID:	117427118
Reduced:	ClFNO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	269.025499
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	5.38
IP(EA), eV:	-9.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-ethyl-4-fluorophenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2=CC(=NO2)C(=O)O)C)Cl

DOS

IR

Vibrations