Geometry & MOs

Info

ID:	26249
PubChem CID:	642242
Reduced:	BrO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	130.062994
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	1.83
IP(EA), eV:	-10.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxopentanoate

Drug info:

PubChemData

Smile

C[C@@H](CBr)C(=O)OC

DOS

IR

Vibrations