Geometry & MOs

Info

ID:	185890
PubChem CID:	77365901
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	322.138953
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	5.96
IP(EA), eV:	-8.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-[2-(dimethylamino)-1-hydroxyethenyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC1=C(C=CC2=CC(=CN=C21)C(=O)O)N3CC(C4(C3)CC4)N

DOS

IR

Vibrations