Geometry & MOs

Info

ID:	271827
PubChem CID:	103693333
Reduced:	NO2F3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	276.95052
ΔH_f, kcal/mol:	-233.12
Dipole, Da:	3.49
IP(EA), eV:	-9.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-bromo-3-chlorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C(CCO)N

DOS

IR

Vibrations