Geometry & MOs

Info

ID:	24717
PubChem CID:	612569
Reduced:	ClN3O3H16C23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	417.088019
ΔH_f, kcal/mol:	38.93
Dipole, Da:	6.16
IP(EA), eV:	-9.67(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations