Geometry & MOs

Info

ID:

392933

PubChem CID:

135018564

Reduced:

RbO2N4H17C22 (1)

Stoich.:

AB2C4D17E22 (1)

Weight, g/mol:

453.129791

ΔHf, kcal/mol:

-12.68

Dipole, Da:

12.72

IP(EA), eV:

 -7.71(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4R)-4,20-dihydroxy-15-(methoxymethoxy)-5,7,7-trimethyl-3,13-dioxo-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),11,14(19),15,17-hexaene-11-diazonium

Drug info:

PubChemData

Smile

C1CN(CC2=[C-]N=C(N=C21)C3=CC=C(C=C3)C#N)C(=O)OCC4=CC=CC=C4.[Rb+]

DOS

IR

Vibrations