Geometry & MOs

Info

ID:	284876
PubChem CID:	104079856
Reduced:	OSN2F3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-172.42
Dipole, Da:	7.71
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-methyl-4-[(2-methylsulfanylethylamino)methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CCSCCCNC1=CN=C(C=C1)OCC(F)(F)F

DOS

IR

Vibrations