Geometry & MOs

Info

ID:	309071
PubChem CID:	126536045
Reduced:	ON5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	530.229105
ΔH_f, kcal/mol:	89.28
Dipole, Da:	3.57
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)N)C2=CN=CC=C2)C3=NC4=C(C=C3)NN=C4

DOS

IR

Vibrations