Geometry & MOs

Info

ID:

447923

PubChem CID:

135286849

Reduced:

N7H23C24 (1)

Stoich.:

A7B23C24 (1)

Weight, g/mol:

577.271385

ΔHf, kcal/mol:

168.59

Dipole, Da:

6.84

IP(EA), eV:

 -8.09(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5N6CCCCC6)N=C2

DOS

IR

Vibrations