Geometry & MOs

Info

ID:	284811
PubChem CID:	104072301
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	3.81
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-3-(4-methoxypiperidin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(CO)CSCC1=CC=C(O1)C=O

DOS

IR

Vibrations