Geometry & MOs

Info

ID:	282070
PubChem CID:	103915211
Reduced:	BrClNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	287.135528
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	5.74
IP(EA), eV:	-9.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-N-(2-propylsulfonylethyl)ethanamine

Drug info:

PubChemData

Smile

C1CCN(C(C1)CO)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations