Geometry & MOs

Info

ID:	4198
PubChem CID:	10950
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	4.76
IP(EA), eV:	-10.34(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxopentan-2-yl acetate

Drug info:

PubChemData

Smile

CC(CC(=O)C)OC(=O)C

DOS

IR

Vibrations