Geometry & MOs

Info

ID:	444120
PubChem CID:	135261370
Reduced:	ON7H15C23 (1)
Stoich.:	AB7C15D23 (1)
Weight, g/mol:	440.207307
ΔH_f, kcal/mol:	183.74
Dipole, Da:	8.72
IP(EA), eV:	-8.78(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(5-methoxypyridin-3-yl)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations