Geometry & MOs

Info

ID:	236482
PubChem CID:	92713409
Reduced:	ClN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	390.17102
ΔH_f, kcal/mol:	-118.1
Dipole, Da:	4.95
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-chlorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@@H](C2=CC(=CC=C2)Cl)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations