Geometry & MOs

Info

ID:	341979
PubChem CID:	127264672
Reduced:	ClNF2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	262.025138
ΔH_f, kcal/mol:	-195.77
Dipole, Da:	3.88
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(trifluoromethyl)pyridin-2-yl]ethanamine;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C1=C2C(=CC=C1)OC(O2)(F)F)N.Cl

DOS

IR

Vibrations