Geometry & MOs

Info

ID:	447994
PubChem CID:	135287413
Reduced:	ON7H17C24 (1)
Stoich.:	AB7C17D24 (1)
Weight, g/mol:	419.149458
ΔH_f, kcal/mol:	186.05
Dipole, Da:	6.13
IP(EA), eV:	-8.78(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CC=N6)N=C2

DOS

IR

Vibrations