Geometry & MOs

Info

ID:	260489
PubChem CID:	103193630
Reduced:	BrON2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	340.98744
ΔH_f, kcal/mol:	-173.37
Dipole, Da:	3.83
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-methoxypropanamide

Drug info:

PubChemData

Smile

CCC(=NC1=C(C=C(C=C1)Br)OC(F)(F)F)N

DOS

IR

Vibrations