Geometry & MOs

Info

ID:	32684
PubChem CID:	7847136
Reduced:	ClFN2O3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	407.103669
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	5.01
IP(EA), eV:	-9.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations