Geometry & MOs

Info

ID:	16793
PubChem CID:	476877
Reduced:	N2O3C12H12 (2)
Stoich.:	A2B3C12D12 (2)
Weight, g/mol:	464.169585
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	13.37
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O.C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

DOS

IR

Vibrations