Geometry & MOs

Info

ID:	271834
PubChem CID:	103693612
Reduced:	BrFNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	256.964648
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	2.21
IP(EA), eV:	-9.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)C2=CC(=NO2)CO

DOS

IR

Vibrations