Geometry & MOs

Info

ID:	308732
PubChem CID:	126522428
Reduced:	N4H7C11 (2)
Stoich.:	A4B7C11 (2)
Weight, g/mol:	406.134223
ΔH_f, kcal/mol:	240.86
Dipole, Da:	7.38
IP(EA), eV:	-8.9(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations