Geometry & MOs

Info

ID:	337564
PubChem CID:	127258187
Reduced:	O4N6C13H20 (1)
Stoich.:	A4B6C13D20 (1)
Weight, g/mol:	297.107319
ΔH_f, kcal/mol:	-123.21
Dipole, Da:	3.21
IP(EA), eV:	-8.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-amino-4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3N(C)C)N)CO)O)O

DOS

IR

Vibrations