Geometry & MOs

Info

ID:	294062
PubChem CID:	117425818
Reduced:	BrO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	269.013579
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	4.75
IP(EA), eV:	-9.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-carboxy-4,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C2(CCC2)C(=O)O

DOS

IR

Vibrations