Geometry & MOs

Info

ID:	56507
PubChem CID:	17435993
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	466.236876
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	3.42
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)N(CC3CCCO3)CC4=NC(=O)C5=CC=CC=C5N4

DOS

IR

Vibrations