Geometry & MOs

Info

ID:	336106
PubChem CID:	127255113
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	392.161518
ΔH_f, kcal/mol:	38.64
Dipole, Da:	7.92
IP(EA), eV:	-9.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC2=CC=CC=C2C1)N3C=NN=N3

DOS

IR

Vibrations