Geometry & MOs

Info

ID:	336565
PubChem CID:	127255572
Reduced:	N2O3H6C8 (1)
Stoich.:	A2B3C6D8 (1)
Weight, g/mol:	320.00791
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	4.81
IP(EA), eV:	-10.12(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-2-(2,6-dichloropurin-9-yl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=COC(=N1)/C=C(\C#N)/C(=O)O

DOS

IR

Vibrations