Geometry & MOs

Info

ID:	249495
PubChem CID:	103090010
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	3.85
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylpyridin-2-yl)-5-methylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(CCCSC)O

DOS

IR

Vibrations