Geometry & MOs

Info

ID:	315052
PubChem CID:	126624293
Reduced:	O2S3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-124.23
Dipole, Da:	3.44
IP(EA), eV:	-8.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-methyl-4-[(1-methylsulfanylethylamino)methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

C[C@]1(CCSS1)CCCCC(=O)OCCSC

DOS

IR

Vibrations