Geometry & MOs

Info

ID:

444112

PubChem CID:

135261342

Reduced:

FON8H23C28 (1)

Stoich.:

ABC8D23E28 (1)

Weight, g/mol:

536.244836

ΔHf, kcal/mol:

124.59

Dipole, Da:

9.64

IP(EA), eV:

 -8.56(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N,N-dimethylpyridin-3-amine

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations