Geometry & MOs

Info

ID:

447095

PubChem CID:

135280267

Reduced:

N2O4H10C13 (1)

Stoich.:

A2B4C10D13 (1)

Weight, g/mol:

688.115605

ΔHf, kcal/mol:

-74.1

Dipole, Da:

5.85

IP(EA), eV:

 -9.57(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-9-methyl-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC3=C(C=C2)C(C=C(O3)C(=O)O)O

DOS

IR

Vibrations