Geometry & MOs

Info

ID:

308897

PubChem CID:

126531806

Reduced:

O2N7H19C25 (1)

Stoich.:

A2B7C19D25 (1)

Weight, g/mol:

509.208785

ΔHf, kcal/mol:

135.69

Dipole, Da:

6.4

IP(EA), eV:

 -8.65(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=COC=C6

DOS

IR

Vibrations