Geometry & MOs

Info

ID:	174691
PubChem CID:	75806466
Reduced:	BrON4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	400.090901
ΔH_f, kcal/mol:	38.83
Dipole, Da:	3.37
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-oxo-7-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4N3C)Br

DOS

IR

Vibrations