Geometry & MOs

Info

ID:

434504

PubChem CID:

135175076

Reduced:

ClN8C23H31 (1)

Stoich.:

AB8C23D31 (1)

Weight, g/mol:

931.481691

ΔHf, kcal/mol:

71.97

Dipole, Da:

6.94

IP(EA), eV:

 -8.44(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethylamino]ethylamino]phenoxy]propylamino]ethylamino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC2=CN=C(C=C2N1C(C)C)NC3=NC(=NC=C3)N4CCC5(CC4)CCN(CC5)Cl

DOS

IR

Vibrations