Geometry & MOs

Info

ID:	411367
PubChem CID:	135084190
Reduced:	ClOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	3.85
IP(EA), eV:	-9.12(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-oxooct-4-enoate

Drug info:

PubChemData

Smile

CC(=C)[C@]1(CC[C@@H]1C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations