Geometry & MOs

Info

ID:	294761
PubChem CID:	117488888
Reduced:	BrFNO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	303.01062
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	3.5
IP(EA), eV:	-9.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-bromo-2,5-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1C(CNC1C2=CC(=C(C=C2F)O)Br)C(=O)O

DOS

IR

Vibrations