Geometry & MOs

Info

ID:	78962
PubChem CID:	49742871
Reduced:	ClN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	2.38
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-5-oxo-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations