Geometry & MOs

Info

ID:	335669
PubChem CID:	127254531
Reduced:	N4O5C27H28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	4.82
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=N4)O

DOS

IR

Vibrations