Geometry & MOs

Info

ID:	293016
PubChem CID:	117370089
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	247.067843
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	1.01
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(C=C2N1)C3(CC3)CC(=O)O)F

DOS

IR

Vibrations