Geometry & MOs

Info

ID:	18476
PubChem CID:	541568
Reduced:	NO9C14H17 (1)
Stoich.:	AB9C14D17 (1)
Weight, g/mol:	343.090331
ΔH_f, kcal/mol:	-359.96
Dipole, Da:	5.62
IP(EA), eV:	-10.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4-triacetyloxy-5-cyano-5-oxopentyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C(C(=O)C#N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations