Geometry & MOs

Info

ID:	272927
PubChem CID:	103767852
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-146.74
Dipole, Da:	6.58
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl)-(3-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)NCCSCCCO)C

DOS

IR

Vibrations