Geometry & MOs

Info

ID:

308774

PubChem CID:

126522470

Reduced:

OF3N8H31C33 (1)

Stoich.:

AB3C8D31E33 (1)

Weight, g/mol:

476.176087

ΔHf, kcal/mol:

16.29

Dipole, Da:

9.58

IP(EA), eV:

 -8.79(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCC(C7)(F)F)/C=C23)F

DOS

IR

Vibrations