Geometry & MOs

Info

ID:	236485
PubChem CID:	92713413
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	404.18667
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	3.51
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@@H](C2=CC=C(C=C2)Cl)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations