Geometry & MOs

Info

ID:	289794
PubChem CID:	104373721
Reduced:	BrO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	191.055798
ΔH_f, kcal/mol:	-223.9
Dipole, Da:	5.72
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(5-methylpyridin-3-yl)ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[C@@H](C(F)(F)F)O)Br

DOS

IR

Vibrations