Geometry & MOs

Info

ID:

432700

PubChem CID:

135172836

Reduced:

O4C23H28 (2)

Stoich.:

A4B23C28 (2)

Weight, g/mol:

472.233522

ΔHf, kcal/mol:

-299.88

Dipole, Da:

5.34

IP(EA), eV:

 -8.93(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations