Geometry & MOs

Info

ID:	340841
PubChem CID:	127263276
Reduced:	NCl2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	205.06697
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	1.65
IP(EA), eV:	-9.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN)Cl.Cl

DOS

IR

Vibrations