Geometry & MOs

Info

ID:	356785
PubChem CID:	127292325
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	347.206973
ΔH_f, kcal/mol:	18.66
Dipole, Da:	4.96
IP(EA), eV:	-8.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CN(C1)C(=O)NCCN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations