Geometry & MOs

Info

ID:	318013
PubChem CID:	126648355
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	319.012613
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	4.25
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetylquinolin-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC2CC1C3=C2C(=CC(=C3)C=O)O

DOS

IR

Vibrations