Geometry & MOs

Info

ID:	294575
PubChem CID:	117471332
Reduced:	BrF3N3H5C9 (1)
Stoich.:	AB3C3D5E9 (1)
Weight, g/mol:	290.99063
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	4.65
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-bromo-3-fluoro-2-hydroxy-6-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)F)F)F)C2=C(NN=C2)N

DOS

IR

Vibrations