Geometry & MOs

Info

ID:	308771
PubChem CID:	126522467
Reduced:	N7H17C23 (1)
Stoich.:	A7B17C23 (1)
Weight, g/mol:	505.202637
ΔH_f, kcal/mol:	220.84
Dipole, Da:	4.16
IP(EA), eV:	-8.41(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations