Geometry & MOs

Info

ID:	216296
PubChem CID:	85086007
Reduced:	NC8O8H13 (1)
Stoich.:	AB8C8D13 (1)
Weight, g/mol:	250.1304
ΔH_f, kcal/mol:	-347.96
Dipole, Da:	3.89
IP(EA), eV:	-10.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(2-aminobutyl)-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

C(C(=O)O)NC1C(C(C(OC1O)C(=O)O)O)O

DOS

IR

Vibrations