Geometry & MOs

Info

ID:	336478
PubChem CID:	127255485
Reduced:	ClNF3O3C9H9 (1)
Stoich.:	ABC3D3E9F9 (1)
Weight, g/mol:	237.036813
ΔH_f, kcal/mol:	-297.53
Dipole, Da:	2.49
IP(EA), eV:	-10.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(3,4-difluorophenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C(=O)O)N)OC(F)(F)F.Cl

DOS

IR

Vibrations