Geometry & MOs

Info

ID:	10815
PubChem CID:	108230
Reduced:	N5O7C10H11 (1)
Stoich.:	A5B7C10D11 (1)
Weight, g/mol:	313.065848
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	10.35
IP(EA), eV:	-9.85(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-nitro-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)[N+](=O)[O-]

DOS

IR

Vibrations