Geometry & MOs

Info

ID:	341228
PubChem CID:	127263663
Reduced:	ClNSF3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	247.018718
ΔH_f, kcal/mol:	-173.73
Dipole, Da:	5.15
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)[C@@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations