Geometry & MOs

Info

ID:	391093
PubChem CID:	135002761
Reduced:	SO2F3N3H12C13 (1)
Stoich.:	AB2C3D3E12F13 (1)
Weight, g/mol:	327.162314
ΔH_f, kcal/mol:	-187.37
Dipole, Da:	9.83
IP(EA), eV:	-9.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(4-phenylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)NC1=C(S(=O)(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C#N

DOS

IR

Vibrations