Geometry & MOs

Info

ID:	591
PubChem CID:	3043
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	12.56
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1CO)N2C=NC3=C2NC=NC3=O

DOS

IR

Vibrations