Geometry & MOs

Info

ID:	257538
PubChem CID:	103146880
Reduced:	BrF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	194.055464
ΔH_f, kcal/mol:	-265.38
Dipole, Da:	5.35
IP(EA), eV:	-9.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,2-trifluoroethoxy)hex-5-yn-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations