Geometry & MOs

Info

ID:	278147
PubChem CID:	103833720
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	3.73
IP(EA), eV:	-9.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CCCCN(CCO)S(=O)(=O)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations