Geometry & MOs

Info

ID:	424142
PubChem CID:	135121477
Reduced:	BrNOSC16H32 (1)
Stoich.:	ABCDE16F32 (1)
Weight, g/mol:	309.078819
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	3.31
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)phenyl]-4,4,5,5,5-pentafluoropentane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCCCCCCCCCCCS)Br

DOS

IR

Vibrations