Geometry & MOs

Info

ID:	412046
PubChem CID:	135084909
Reduced:	ClO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-232.22
Dipole, Da:	3.17
IP(EA), eV:	-10.42(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,6Z)-octa-2,6-dienoate

Drug info:

PubChemData

Smile

COC(=O)CC(=O)CC(CCl)(OC)OC

DOS

IR

Vibrations