Geometry & MOs

Info

ID:

308690

PubChem CID:

126522386

Reduced:

FN7H24C32 (1)

Stoich.:

AB7C24D32 (1)

Weight, g/mol:

489.202556

ΔHf, kcal/mol:

195.89

Dipole, Da:

6.09

IP(EA), eV:

 -8.8(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations