Geometry & MOs

Info

ID:

433320

PubChem CID:

135173457

Reduced:

N7O7C43H45 (1)

Stoich.:

A7B7C43D45 (1)

Weight, g/mol:

752.368619

ΔHf, kcal/mol:

-127.89

Dipole, Da:

5.86

IP(EA), eV:

 -8.54(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[3-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]propyl]piperazin-1-yl]-2-pentan-2-ylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=NN(C=C1C2=CC3=C(C=C2)/C(=N/O)/CC3)C4=CC=C(C=C4)OCCOCCN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(C7=O)C8CCC(=O)NC8=O

DOS

IR

Vibrations