Geometry & MOs

Info

ID:	174496
PubChem CID:	75773075
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	459.263425
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	2.25
IP(EA), eV:	-8.34(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpiperidin-1-yl)-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCN3C(=O)COC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations