Geometry & MOs

Info

ID:

308769

PubChem CID:

126522465

Reduced:

ON7H17C24 (1)

Stoich.:

AB7C17D24 (1)

Weight, g/mol:

638.272942

ΔHf, kcal/mol:

190.01

Dipole, Da:

5.51

IP(EA), eV:

 -8.86(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=NC=C6)/NN3

DOS

IR

Vibrations