Geometry & MOs

Info

ID:	224659
PubChem CID:	85345772
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	324.14337
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	3.79
IP(EA), eV:	-8.97(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1-propylpurin-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCC(=O)N3C2OCC3C4=CC=CC=C4

DOS

IR

Vibrations