Geometry & MOs

Info

ID:

442433

PubChem CID:

135252039

Reduced:

FN6H19C24 (1)

Stoich.:

AB6C19D24 (1)

Weight, g/mol:

619.307102

ΔHf, kcal/mol:

164.66

Dipole, Da:

7.13

IP(EA), eV:

 -8.34(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl-[[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C/C(=C\NN=C)/C1=CC\2=C(C=C1)NN/C2=C\3/C=C4C(=CC=NC4=N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations