Geometry & MOs

Info

ID:	292812
PubChem CID:	117359240
Reduced:	NOF3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	243.090686
ΔH_f, kcal/mol:	-184.48
Dipole, Da:	4.2
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)NC(=C2)C(F)(F)F)O

DOS

IR

Vibrations