Geometry & MOs

Info

ID:

447915

PubChem CID:

135286763

Reduced:

FSN7H12C21 (1)

Stoich.:

ABC7D12E21 (1)

Weight, g/mol:

520.213536

ΔHf, kcal/mol:

188.87

Dipole, Da:

4.47

IP(EA), eV:

 -8.89(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations