Geometry & MOs

Info

ID:	15145
PubChem CID:	430716
Reduced:	N5O5C15H23 (1)
Stoich.:	A5B5C15D23 (1)
Weight, g/mol:	353.169919
ΔH_f, kcal/mol:	-179.4
Dipole, Da:	2.31
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[6-[(3-hydroxy-3-methylbutyl)amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations