Geometry & MOs

Info

ID:	122641
PubChem CID:	50815678
Reduced:	ClN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-28.06
Dipole, Da:	9.88
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2N(C(=O)C1=O)CC3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations