Geometry & MOs

Info

ID:	163510
PubChem CID:	58015565
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	378.088353
ΔH_f, kcal/mol:	23.37
Dipole, Da:	4.7
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-6-oxo-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2C3=C(C=C(C=C3)N4C=CC5=C(C4=O)C=CO5)C=N2

DOS

IR

Vibrations