Geometry & MOs

Info

ID:	433849
PubChem CID:	135173992
Reduced:	O3N7H21C24 (1)
Stoich.:	A3B7C21D24 (1)
Weight, g/mol:	487.233188
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	10.38
IP(EA), eV:	-8.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-cyclopentyl-7-(3-hydroxyphenyl)-2-(4-morpholin-4-ylanilino)purin-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)C(=O)OC6

DOS

IR

Vibrations