Geometry & MOs

Info

ID:

433738

PubChem CID:

135173879

Reduced:

O6N7H43C44 (1)

Stoich.:

A6B7C43D44 (1)

Weight, g/mol:

751.311832

ΔHf, kcal/mol:

-85.37

Dipole, Da:

9.33

IP(EA), eV:

 -8.31(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[3-[4-[4-[4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]propoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN(C1CCC(=O)NC1=O)C(=O)C2=C(C=CC=C2OCCCN3CCN(CC3)C4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)C(=O)CC8)C=O

DOS

IR

Vibrations