Geometry & MOs

Info

ID:	259871
PubChem CID:	103176222
Reduced:	NO3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-144.49
Dipole, Da:	3.84
IP(EA), eV:	-8.75(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethyl-6-methylpyridin-3-yl)oxybutane-1-thiol

Drug info:

PubChemData

Smile

CCNC1CC(C12CCCC2)OCCOCCCOC

DOS

IR

Vibrations