Geometry & MOs

Info

ID:	369684
PubChem CID:	127335016
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	26.41
Dipole, Da:	1.58
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations