Geometry & MOs

Info

ID:

447814

PubChem CID:

135285957

Reduced:

ON3H23C26 (1)

Stoich.:

AB3C23D26 (1)

Weight, g/mol:

644.302351

ΔHf, kcal/mol:

75.31

Dipole, Da:

4.08

IP(EA), eV:

 -8.66(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC3=C(C=C2)N=C4N3C[C@@H]5[C@H]4CC=CC5C6=CC=CC=C6

DOS

IR

Vibrations