Geometry & MOs

Info

ID:	337603
PubChem CID:	127258226
Reduced:	BrO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	248.117922
ΔH_f, kcal/mol:	-120.63
Dipole, Da:	1.33
IP(EA), eV:	-10.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxooctyl 4-chlorobutanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCCCBr

DOS

IR

Vibrations