Geometry & MOs

Info

ID:

308782

PubChem CID:

126522671

Reduced:

F2N7C29H29 (1)

Stoich.:

A2B7C29D29 (1)

Weight, g/mol:

492.207388

ΔHf, kcal/mol:

55.16

Dipole, Da:

8.27

IP(EA), eV:

 -8.34(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)NN4)/C=C23

DOS

IR

Vibrations