Geometry & MOs

Info

ID:	403362
PubChem CID:	135059864
Reduced:	BrC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	202.025307
ΔH_f, kcal/mol:	85.68
Dipole, Da:	2.94
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2,4,4-tetrafluoro-3-oxobutanoate

Drug info:

PubChemData

Smile

CCCCCCC#CC#CC1=CC(=CC=C1)Br

DOS

IR

Vibrations