Geometry & MOs

Info

ID:	271829
PubChem CID:	103693493
Reduced:	BrOF5H6C10 (1)
Stoich.:	ABC5D6E10 (1)
Weight, g/mol:	294.104306
ΔH_f, kcal/mol:	-264.73
Dipole, Da:	2.65
IP(EA), eV:	-9.79(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3,3,4,4,4-pentafluorobutan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C(C(F)(F)F)(F)F)Br

DOS

IR

Vibrations