Geometry & MOs

Info

ID:

444086

PubChem CID:

135261298

Reduced:

FSN7H12C21 (1)

Stoich.:

ABC7D12E21 (1)

Weight, g/mol:

592.271051

ΔHf, kcal/mol:

187.8

Dipole, Da:

4.12

IP(EA), eV:

 -8.63(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

C1=CN=C(C2=C/C(=C/3\C4=CC(=NC=C4NN3)C5=NC=CN=C5)/N=C21)C6=CC=C(S6)F

DOS

IR

Vibrations