Geometry & MOs

Info

ID:	433899
PubChem CID:	135174046
Reduced:	ClON5H24C31 (1)
Stoich.:	ABC5D24E31 (1)
Weight, g/mol:	499.269573
ΔH_f, kcal/mol:	117.35
Dipole, Da:	3.21
IP(EA), eV:	-8.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-cyclopentyl-7-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]purin-8-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)C=C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)C=C)Cl

DOS

IR

Vibrations