Geometry & MOs

Info

ID:	337563
PubChem CID:	127258186
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	324.154603
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	0.81
IP(EA), eV:	-9.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O

DOS

IR

Vibrations