Geometry & MOs

Info

ID:	191628
PubChem CID:	78169999
Reduced:	ON3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	564.240458
ΔH_f, kcal/mol:	22.25
Dipole, Da:	3.55
IP(EA), eV:	-9.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetic acid;piperazine

Drug info:

PubChemData

Smile

CC1=CC(=O)C(N=N1)N

DOS

IR

Vibrations