Geometry & MOs

Info

ID:

432960

PubChem CID:

135173097

Reduced:

NH9C14 (4)

Stoich.:

AB9C14 (4)

Weight, g/mol:

595.28195

ΔHf, kcal/mol:

283.77

Dipole, Da:

3.11

IP(EA), eV:

 -8.45(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=C(C=C(C=C5)C6=C7C8=CC=CC=C8C(C7=CC=C6)(C9=CC=CC=C9)C1=CN=CC=C1)C1=C4C=CC2=CC=CC=C21

DOS

IR

Vibrations