Geometry & MOs

Info

ID:	147377
PubChem CID:	53787033
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	334.04103
ΔH_f, kcal/mol:	3.59
Dipole, Da:	3.05
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6,8-trioxo-7,9-dihydro-3H-purin-1-yl)-7,9-dihydro-3H-purine-2,6,8-trione

Drug info:

PubChemData

Smile

CCC(=CC1=CN=CC=C1)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations