Geometry & MOs

Info

ID:	335914
PubChem CID:	127254776
Reduced:	BrNO4H12C16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	9.07
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC=C(C=C3)Br)CC(=O)O)C(=O)N1

DOS

IR

Vibrations