Geometry & MOs

Info

ID:	198786
PubChem CID:	79150123
Reduced:	ClSN3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	278.124212
ΔH_f, kcal/mol:	79.73
Dipole, Da:	3.54
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)-6-methylpyridin-3-yl]oxy-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C#N)CSC2=CC(=C(C=C2)N)Cl

DOS

IR

Vibrations