Geometry & MOs

Info

ID:	181770
PubChem CID:	76791140
Reduced:	N5O6C21H31 (1)
Stoich.:	A5B6C21D31 (1)
Weight, g/mol:	491.237998
ΔH_f, kcal/mol:	-238.65
Dipole, Da:	4.49
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[6-[(3-butanoyloxycyclopentyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl butanoate

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC4CCCC4O)O)O

DOS

IR

Vibrations