Geometry & MOs

Info

ID:	339591
PubChem CID:	127261581
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	290.01537
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	1.94
IP(EA), eV:	-9.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-methyl-5-oxo-2H-furan-3-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC1=CC(=CC=C1)O

DOS

IR

Vibrations