Geometry & MOs

Info

ID:

448243

PubChem CID:

135289566

Reduced:

FO2N9C32H32 (1)

Stoich.:

AB2C9D32E32 (1)

Weight, g/mol:

627.250649

ΔHf, kcal/mol:

103.72

Dipole, Da:

4.05

IP(EA), eV:

 -8.66(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)OC7CCNCC7)NN4)/N=C23)F

DOS

IR

Vibrations