Geometry & MOs

Info

ID:	399420
PubChem CID:	135040180
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	219.105942
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	3.99
IP(EA), eV:	-10.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-N-methylanilino)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(CCCO)(CC=C)C#N

DOS

IR

Vibrations