Geometry & MOs

Info

ID:	294631
PubChem CID:	117475612
Reduced:	BrF2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	295.068985
ΔH_f, kcal/mol:	-193.36
Dipole, Da:	3.64
IP(EA), eV:	-9.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)Br)CCC(=O)O)F

DOS

IR

Vibrations