Geometry & MOs

Info

ID:	341229
PubChem CID:	127263664
Reduced:	ClNF5H7C8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	225.053212
ΔH_f, kcal/mol:	-267.96
Dipole, Da:	2.42
IP(EA), eV:	-10.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)[C@@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations