Geometry & MOs

Info

ID:	341926
PubChem CID:	127264619
Reduced:	ClNF3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	205.042505
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	4.04
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-chlorophenyl)-N-methylethanamine;hydrochloride

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C2=CC=CC=C2C(F)(F)F.Cl

DOS

IR

Vibrations