Geometry & MOs

Info

ID:	257537
PubChem CID:	103146866
Reduced:	F3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	354.00784
ΔH_f, kcal/mol:	-281.47
Dipole, Da:	5.3
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1CC(=COC1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations