Geometry & MOs

Info

ID:	271849
PubChem CID:	103694322
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	7.64
IP(EA), eV:	-9.61(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-fluoro-6-(4-methylsulfanylphenoxy)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(CC(=O)O)NC

DOS

IR

Vibrations