Geometry & MOs

Info

ID:	372599
PubChem CID:	131300545
Reduced:	SH5N5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	250.135114
ΔH_f, kcal/mol:	129.84
Dipole, Da:	5.36
IP(EA), eV:	-9.49(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-(1-methylsulfonylpiperidin-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=C(SN=C1C#N)NC2=CN=CN=C2

DOS

IR

Vibrations