Geometry & MOs

Info

ID:	217612
PubChem CID:	85088103
Reduced:	ClN5O5C15H20 (1)
Stoich.:	AB5C5D15E20 (1)
Weight, g/mol:	350.146444
ΔH_f, kcal/mol:	-154.33
Dipole, Da:	13.48
IP(EA), eV:	-9.5(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-pyridin-1-ium-1-yl-3,4,5,6-tetrahydro-1H-purin-2-one

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C2C3C(NC(=O)N2)N(C=N3)C4C(C(C(O4)CO)O)O.[Cl-]

DOS

IR

Vibrations