Geometry & MOs

Info

ID:	308777
PubChem CID:	126522589
Reduced:	N3H11C12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	477.191323
ΔH_f, kcal/mol:	168.56
Dipole, Da:	7.98
IP(EA), eV:	-8.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[4-(furan-3-yl)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

C1CNCCC1C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations