Geometry & MOs

Info

ID:	284952
PubChem CID:	104085437
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	198.082684
ΔH_f, kcal/mol:	-7.75
Dipole, Da:	6.38
IP(EA), eV:	-8.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyridin-2-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=C2C(=C(C=C1)N)C=CC=N2

DOS

IR

Vibrations