Geometry & MOs

Info

ID:	169844
PubChem CID:	75156751
Reduced:	ClN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	506.152097
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	2.6
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-1,4-diium-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C[N+]2=C3C=CC=CC3=[N+](C(=O)C2=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations