Geometry & MOs

Info

ID:	308688
PubChem CID:	126522384
Reduced:	ON7H13C21 (1)
Stoich.:	AB7C13D21 (1)
Weight, g/mol:	486.191657
ΔH_f, kcal/mol:	198.17
Dipole, Da:	8.16
IP(EA), eV:	-8.83(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=COC=C1C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CN=C6)/C=C23

DOS

IR

Vibrations