Geometry & MOs

Info

ID:

308924

PubChem CID:

126531877

Reduced:

FON8H25C29 (1)

Stoich.:

ABC8D25E29 (1)

Weight, g/mol:

522.229186

ΔHf, kcal/mol:

143.84

Dipole, Da:

13.22

IP(EA), eV:

 -8.69(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC(=CC=C7)F

DOS

IR

Vibrations