Geometry & MOs

Info

ID:	341997
PubChem CID:	127264690
Reduced:	ON2Cl3C7H11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	221.025499
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	3.25
IP(EA), eV:	-9.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations