Geometry & MOs

Info

ID:	29203
PubChem CID:	832305
Reduced:	FSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	263.107692
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	2.79
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations