Geometry & MOs

Info

ID:	389812
PubChem CID:	134995348
Reduced:	ClPO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	0.78
IP(EA), eV:	-9.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5Z)-7-oxohepta-1,5-dien-3-yl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C/C=C\C1=CC=CC=C1Cl)OCC

DOS

IR

Vibrations