Geometry & MOs

Info

ID:	336231
PubChem CID:	127255238
Reduced:	F3N3O3H14C23 (1)
Stoich.:	A3B3C3D14E23 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	-171.22
Dipole, Da:	4.81
IP(EA), eV:	-9.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)piperazin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC(=C(C(=C5)F)F)F

DOS

IR

Vibrations