Geometry & MOs

Info

ID:	191952
PubChem CID:	78207768
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	337.130065
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	6.04
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3,7-trimethyl-8-naphthalen-2-yloxy-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)NC(=O)C=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations