Geometry & MOs

Info

ID:	335776
PubChem CID:	127254638
Reduced:	NF3O3H24C35 (1)
Stoich.:	AB3C3D24E35 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	7.87
IP(EA), eV:	-8.66(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC3N2[C@H]([C@@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)C(F)(F)F)C(=O)C7=CC=CC=C7)C=C1

DOS

IR

Vibrations