Geometry & MOs

Info

ID:	32498
PubChem CID:	7839625
Reduced:	NO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	2.7
IP(EA), eV:	-9.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C#N)OC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations