Geometry & MOs

Info

ID:	32663
PubChem CID:	7847054
Reduced:	ClN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	5.86
IP(EA), eV:	-8.87(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations