Geometry & MOs

Info

ID:	208887
PubChem CID:	80600032
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	2.42
IP(EA), eV:	-8.61(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(thian-2-ylmethylamino)ethyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CCNC1CCN(C1=O)CC2CCCCS2

DOS

IR

Vibrations