Geometry & MOs

Info

ID:	32673
PubChem CID:	7847070
Reduced:	ClNO3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	410.13972
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	5.56
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations