Geometry & MOs

Info

ID:	447993
PubChem CID:	135287411
Reduced:	ON9H15C21 (1)
Stoich.:	AB9C15D21 (1)
Weight, g/mol:	419.149458
ΔH_f, kcal/mol:	191.35
Dipole, Da:	8.55
IP(EA), eV:	-8.87(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)O)NN4)/N=C23

DOS

IR

Vibrations