Geometry & MOs

Info

ID:	4537
PubChem CID:	11576
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-155.04
Dipole, Da:	2.8
IP(EA), eV:	-10.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-oxobutanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CC(=O)C

DOS

IR

Vibrations