Geometry & MOs

Info

ID:	278278
PubChem CID:	103834537
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-95.82
Dipole, Da:	6.24
IP(EA), eV:	-9.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCCC2CCCO

DOS

IR

Vibrations