Geometry & MOs

Info

ID:	341959
PubChem CID:	127264652
Reduced:	ClNF2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	229.086957
ΔH_f, kcal/mol:	-111.42
Dipole, Da:	1.96
IP(EA), eV:	-9.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2C1N)F)F.Cl

DOS

IR

Vibrations