Geometry & MOs

Info

ID:	271828
PubChem CID:	103693405
Reduced:	BrClNO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	315.95222
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	2.9
IP(EA), eV:	-9.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3,3,4,4,4-pentafluorobutan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CC(=O)O)N)Cl)Br

DOS

IR

Vibrations