Geometry & MOs

Info

ID:	433840
PubChem CID:	135173983
Reduced:	O3N8H24C25 (1)
Stoich.:	A3B8C24D25 (1)
Weight, g/mol:	468.202222
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	6.09
IP(EA), eV:	-8.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-(1H-indol-5-yl)-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC4=C(C=C3)NC=C4)N)NC5=CC6=C(C=C5)N(C(=O)CO6)C

DOS

IR

Vibrations