Geometry & MOs

Info

ID:	388577
PubChem CID:	134989539
Reduced:	BrO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-145.27
Dipole, Da:	4.94
IP(EA), eV:	-10.39(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethoxy-3-oxohexanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCCCCC1=O)Br

DOS

IR

Vibrations