Geometry & MOs

Info

ID:

446200

PubChem CID:

135273082

Reduced:

FN5H20C27 (1)

Stoich.:

AB5C20D27 (1)

Weight, g/mol:

476.212473

ΔHf, kcal/mol:

133.9

Dipole, Da:

5.97

IP(EA), eV:

 -8.47(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)C)F)N=C2

DOS

IR

Vibrations