Geometry & MOs

Info

ID:	278145
PubChem CID:	103833705
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	2.82
IP(EA), eV:	-10.02(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N(C)CCO

DOS

IR

Vibrations