Geometry & MOs

Info

ID:	227726
PubChem CID:	87562320
Reduced:	Cl2N6O6H15C20 (2)
Stoich.:	A2B6C6D15E20 (2)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	-242.06
Dipole, Da:	4.65
IP(EA), eV:	-9.47(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloro-1-methylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-carboxamide

Drug info:

Smile

CC(C)C1=CC(=NN(C1=O)COC(=O)CCC(=O)OCN2C(=O)C(=CC(=N2)OC3=C(C=C(C=C3Cl)N4C(=O)NC(=O)C(=N4)C#N)Cl)C(C)C)OC5=C(C=C(C=C5Cl)N6C(=O)NC(=O)C(=N6)C#N)Cl

DOS

IR

Vibrations