Geometry & MOs

Info

ID:	203514
PubChem CID:	79839989
Reduced:	SO2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	3.43
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NSC(=N1)N2CCN(CC2)CCC(=O)OC

DOS

IR

Vibrations