Geometry & MOs

Info

ID:	28701
PubChem CID:	829048
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	4.73
IP(EA), eV:	-9.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NCC2=CN=CC=C2)Cl

DOS

IR

Vibrations