Geometry & MOs

Info

ID:	257643
PubChem CID:	103147575
Reduced:	ClSO2F3C10H12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	249.097663
ΔH_f, kcal/mol:	-237.01
Dipole, Da:	5.29
IP(EA), eV:	-9.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Cl)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations