Geometry & MOs

Info

ID:	411231
PubChem CID:	135084044
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	1.98
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4E,6S)-undeca-2,4-dien-6-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/CBr)/CF

DOS

IR

Vibrations