Geometry & MOs

Info

ID:	293342
PubChem CID:	117385055
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	253.038651
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	3.45
IP(EA), eV:	-9.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoro-3-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC(=C2)C3(CC3)O)Br

DOS

IR

Vibrations