Geometry & MOs

Info

ID:	259875
PubChem CID:	103176228
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	279.165686
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	3.47
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-ethyl-6-methylpyridin-3-yl)oxymethyl]cyclohexyl]methanethiol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OCC(C)CS

DOS

IR

Vibrations