Geometry & MOs

Info

ID:

444108

PubChem CID:

135261337

Reduced:

FON6H17C25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

590.2554

ΔHf, kcal/mol:

125.46

Dipole, Da:

8.02

IP(EA), eV:

 -8.64(-2.17)

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-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC=C6)/C=C32)F

DOS

IR

Vibrations