Geometry & MOs

Info

ID:

447899

PubChem CID:

135286662

Reduced:

FN7H24C29 (1)

Stoich.:

AB7C24D29 (1)

Weight, g/mol:

505.202637

ΔHf, kcal/mol:

162.55

Dipole, Da:

5.2

IP(EA), eV:

 -8.78(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-5-[(2E)-2-[5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations