Geometry & MOs

Info

ID:	442569
PubChem CID:	135253067
Reduced:	Cl2O2N4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	409.074868
ΔH_f, kcal/mol:	-24.04
Dipole, Da:	2.25
IP(EA), eV:	-8.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3C4CCOCC4)Cl

DOS

IR

Vibrations