Geometry & MOs

Info

ID:

442434

PubChem CID:

135252041

Reduced:

FO2N7C36H38 (1)

Stoich.:

AB2C7D36E38 (1)

Weight, g/mol:

565.260151

ΔHf, kcal/mol:

38.41

Dipole, Da:

12.1

IP(EA), eV:

 -8.32(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(C7CCCCC7)O)NN4)/C=C23)F

DOS

IR

Vibrations