Geometry & MOs

Info

ID:	337567
PubChem CID:	127258190
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	266.112738
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	6.34
IP(EA), eV:	-9.66(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S)-5-(4,6-diaminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@@H]1N2C3=NC(=NC(=O)C3=CN2)N)CO)O

DOS

IR

Vibrations