Geometry & MOs

Info

ID:	287583
PubChem CID:	104247713
Reduced:	OCl2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	5.81
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CC3=C(C=CC(=N3)Cl)Cl

DOS

IR

Vibrations