Geometry & MOs

Info

ID:	171847
PubChem CID:	75433574
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	304.182064
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	5.37
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCCCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)O

DOS

IR

Vibrations