Geometry & MOs

Info

ID:	182885
PubChem CID:	76949730
Reduced:	OSN2F3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	283.118399
ΔH_f, kcal/mol:	-164.8
Dipole, Da:	2.64
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7-trifluoro-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=C(C(=CC(=C1)F)F)F)N

DOS

IR

Vibrations