Geometry & MOs

Info

ID:	170372
PubChem CID:	75222634
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	340.149518
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	2.71
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-2-(2-hydroxypropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations