Geometry & MOs

Info

ID:	287249
PubChem CID:	104234163
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	3.63
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(2-phenylsulfanylethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)COC2=C(C=C(C=C2)C(C)N)F)C

DOS

IR

Vibrations