Geometry & MOs

Info

ID:	335646
PubChem CID:	127254508
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-106.29
Dipole, Da:	1.58
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)NCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations