Geometry & MOs

Info

ID:	308699
PubChem CID:	126522395
Reduced:	FO2N8C38H39 (1)
Stoich.:	AB2C8D38E39 (1)
Weight, g/mol:	464.05561
ΔH_f, kcal/mol:	53.36
Dipole, Da:	11.2
IP(EA), eV:	-8.7(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC(=CC(=C7)F)OCCN8CCCC8)/NN4

DOS

IR

Vibrations