Geometry & MOs

Info

ID:	268496
PubChem CID:	103599649
Reduced:	ClN3O4H20C24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	3.38
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylidene-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations