Geometry & MOs

Info

ID:	262420
PubChem CID:	103292587
Reduced:	ClSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	3.24
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-methoxyphenyl)methyl]-2-methylpiperidin-4-one

Drug info:

PubChemData

Smile

CCC(C(=S)N)C(=O)NCC1=C(C=CC=C1Cl)OC

DOS

IR

Vibrations