Geometry & MOs

Info

ID:	192678
PubChem CID:	78301149
Reduced:	INO2C8H15 (2)
Stoich.:	ABC2D8E15 (2)
Weight, g/mol:	357.15628
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	43.72
IP(EA), eV:	-4.73(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[2-(2,3-dimethoxyphenyl)ethenyl]-1,3,7-trimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)OC1C(C=CC(C1OC(=O)C)[N+](C)(C)C)[N+](C)(C)C.[I-].[I-]

DOS

IR

Vibrations