Geometry & MOs

Info

ID:	32662
PubChem CID:	7847051
Reduced:	ClN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	5.84
IP(EA), eV:	-9.19(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations