Geometry & MOs

Info

ID:

180525

PubChem CID:

76648727

Reduced:

IrN2O2C29H29 (1)

Stoich.:

AB2C2D29E29 (1)

Weight, g/mol:

541.275187

ΔHf, kcal/mol:

131.42

Dipole, Da:

23.81

IP(EA), eV:

 -9.28(-4.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-(methylamino)-4,5-dihydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C=C(N=C2C)C3=[C-]C=CC=C3C4=CC=CC=C4.CC(=CC(=O)C)O.[Ir]

DOS

IR

Vibrations