Geometry & MOs

Info

ID:	177589
PubChem CID:	76202236
Reduced:	ClNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	241.071448
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	4.79
IP(EA), eV:	-9.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-6,7,8-trifluoro-2-methyl-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CN(CCO)S(=O)(=O)C=CC1=CC=C(C=C1)Cl

DOS

IR

Vibrations