Geometry & MOs

Info

ID:	182820
PubChem CID:	76940908
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	238.094014
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	6.31
IP(EA), eV:	-9.16(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC=CC(=O)O)CC1CCCCC1

DOS

IR

Vibrations