Geometry & MOs

Info

ID:	336183
PubChem CID:	127255190
Reduced:	N5O5H17C25 (1)
Stoich.:	A5B5C17D25 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	6.97
IP(EA), eV:	-8.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-oxopiperazin-1-yl)-5-(4-phenylpiperazin-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=CC6=C(C=C5)NC(=O)C(=O)N6

DOS

IR

Vibrations