Geometry & MOs

Info

ID:	7361
PubChem CID:	72266
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	2.23
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC2=C1N=CN2[C@H]3C([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations