Geometry & MOs

Info

ID:	341922
PubChem CID:	127264615
Reduced:	NOCl2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	219.048463
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	1.78
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol;hydrochloride

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1N)C=CC=C2Cl.Cl

DOS

IR

Vibrations