Geometry & MOs

Info

ID:	58917
PubChem CID:	24716160
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	1.49
IP(EA), eV:	-9.39(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyacetyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)C2=CC=CO2)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations