Geometry & MOs

Info

ID:	268011
PubChem CID:	103595322
Reduced:	NOSC11H19 (1)
Stoich.:	ABCD11E19 (1)
Weight, g/mol:	245.181336
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	4.28
IP(EA), eV:	-8.59(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylthiomorpholin-3-yl)octan-1-ol

Drug info:

PubChemData

Smile

CN1CCSCC1C(=O)CCCC=C

DOS

IR

Vibrations