Geometry & MOs

Info

ID:	246144
PubChem CID:	103046613
Reduced:	FNOSCl2H10C14 (1)
Stoich.:	ABCDE2F10G14 (1)
Weight, g/mol:	269.09827
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	3.5
IP(EA), eV:	-8.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-fluorophenyl)methyl-methylamino]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=S)N)OCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations