Geometry & MOs

Info

ID:

447999

PubChem CID:

135287465

Reduced:

FO2N9H22C27 (1)

Stoich.:

AB2C9D22E27 (1)

Weight, g/mol:

536.20845

ΔHf, kcal/mol:

97.66

Dipole, Da:

6.4

IP(EA), eV:

 -8.75(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations