Geometry & MOs

Info

ID:	49120
PubChem CID:	11528731
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	-228.33
Dipole, Da:	1.32
IP(EA), eV:	-10.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyloxy-3-oxoheptanoate

Drug info:

PubChemData

Smile

C/C(=C\[C@H]1[C@H](OC(O1)(C)C)CO)/C(=O)OC

DOS

IR

Vibrations