Geometry & MOs

Info

ID:	308851
PubChem CID:	126522926
Reduced:	ON7H29C32 (1)
Stoich.:	AB7C29D32 (1)
Weight, g/mol:	388.143645
ΔH_f, kcal/mol:	145.01
Dipole, Da:	10.82
IP(EA), eV:	-8.26(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/C=C23

DOS

IR

Vibrations