Geometry & MOs

Info

ID:	236481
PubChem CID:	92713407
Reduced:	ClN2O5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	419.197569
ΔH_f, kcal/mol:	-219.37
Dipole, Da:	2.24
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@@H](C2=CC(=CC=C2)Cl)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations