Geometry & MOs

Info

ID:	384954
PubChem CID:	134978026
Reduced:	PSF3O3H30C31 (1)
Stoich.:	ABC3D3E30F31 (1)
Weight, g/mol:	236.101271
ΔH_f, kcal/mol:	-202.11
Dipole, Da:	11.39
IP(EA), eV:	-9.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,1-difluoroethyl)phenyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C\CCP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations