Geometry & MOs

Info

ID:	399451
PubChem CID:	135040337
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	252.085855
ΔH_f, kcal/mol:	21.69
Dipole, Da:	2.05
IP(EA), eV:	-9.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC/C(=C(\C#N)/C(=O)N)/C(=C/C2=CC(=CC=C2)Br)/C1

DOS

IR

Vibrations