Geometry & MOs

Info

ID:	830
PubChem CID:	3411
Reduced:	N4O5C10H12 (1)
Stoich.:	A4B5C10D12 (1)
Weight, g/mol:	268.080769
ΔH_f, kcal/mol:	-144.75
Dipole, Da:	7.38
IP(EA), eV:	-9.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC(=O)C2=NNC(=C2N1)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations