Geometry & MOs

Info

ID:	9
PubChem CID:	1938
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	267.085521
ΔH_f, kcal/mol:	-171.27
Dipole, Da:	3.89
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(C2=C(N1)C(=O)N=CN2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations