Geometry & MOs

Info

ID:	297479
PubChem CID:	117618707
Reduced:	NO2F3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	249.097663
ΔH_f, kcal/mol:	-246.76
Dipole, Da:	3.55
IP(EA), eV:	-10.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-6,6,6-trifluoro-2-pyridin-2-ylhexane-2,3-diol

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=N1)([C@@H](CCC(F)(F)F)O)O

DOS

IR

Vibrations