Geometry & MOs

Info

ID:	209424
PubChem CID:	80671767
Reduced:	BrNF3O3C12H13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	317.04267
ΔH_f, kcal/mol:	-237.33
Dipole, Da:	3.98
IP(EA), eV:	-9.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methoxypropyl)-2-(3-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC(COC)Br)C(=O)C1=CC(=C(C(=C1F)O)F)F

DOS

IR

Vibrations