Geometry & MOs

Info

ID:

448246

PubChem CID:

135289603

Reduced:

FON9H24C27 (1)

Stoich.:

ABC9D24E27 (1)

Weight, g/mol:

565.246233

ΔHf, kcal/mol:

144.79

Dipole, Da:

2.57

IP(EA), eV:

 -8.62(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(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]pyrazin-2-yl]azetidin-3-amine

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)N)NN4)/N=C23)F

DOS

IR

Vibrations