Geometry & MOs

Info

ID:	287302
PubChem CID:	104234345
Reduced:	FOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	243.127072
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	2.86
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CN3C=CSC3=N2)F)NC

DOS

IR

Vibrations