Geometry & MOs

Info

ID:	32683
PubChem CID:	7847126
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	400.098998
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	4.53
IP(EA), eV:	-8.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=C(C=C3C)OC)OC

DOS

IR

Vibrations