Geometry & MOs

Info

ID:	127343
PubChem CID:	50998991
Reduced:	ClNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	215.071306
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	5.4
IP(EA), eV:	-9.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-amino-2-methyl-3-phenylpropanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)N)C(=O)O.Cl

DOS

IR

Vibrations