Geometry & MOs

Info

ID:	257619
PubChem CID:	103147413
Reduced:	NSO2F3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	265.092578
ΔH_f, kcal/mol:	-229.37
Dipole, Da:	5.31
IP(EA), eV:	-8.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxypyridin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

C1=CSC(=N1)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations