Geometry & MOs

Info

ID:	294088
PubChem CID:	117426906
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.124964
ΔH_f, kcal/mol:	-123.37
Dipole, Da:	4.31
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)C2(CCCCC2)N)O

DOS

IR

Vibrations