Geometry & MOs

Info

ID:	187513
PubChem CID:	77583087
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	299.134202
ΔH_f, kcal/mol:	9.99
Dipole, Da:	6.94
IP(EA), eV:	-9.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-aminooxy-2-(1,6-diamino-6H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=NC2=NN1)C)C(=O)O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations