Geometry & MOs

Info

ID:	236484
PubChem CID:	92713412
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	404.18667
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	7.88
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCOC)[C@@H](C2=CC=C(C=C2)Cl)N3CCCCC3)O

DOS

IR

Vibrations