Geometry & MOs

Info

ID:	413208
PubChem CID:	135086154
Reduced:	BrClO5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-252.12
Dipole, Da:	4.32
IP(EA), eV:	-10.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E,5Z)-2-methylundeca-3,5-dien-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C)C(=O)Br)[C@@H]([C@@H](C)C(=O)OC)OC(=O)CCl

DOS

IR

Vibrations