Geometry & MOs

Info

ID:	545
PubChem CID:	2970
Reduced:	O4N5C11H13 (1)
Stoich.:	A4B5C11D13 (1)
Weight, g/mol:	279.096754
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	4.24
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol

Drug info:

PubChemData

Smile

C=C1C(C(C(O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations