Geometry & MOs

Info

ID:	77620
PubChem CID:	49658429
Reduced:	ClF2N2O3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	356.09277
ΔH_f, kcal/mol:	-181.98
Dipole, Da:	4.43
IP(EA), eV:	-9.2(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(benzylamino)-7-chloro-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)NC1=O)NCC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations