Geometry & MOs

Info

ID:	284905
PubChem CID:	104082210
Reduced:	BrFO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-160.45
Dipole, Da:	3.06
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-methoxyethyl)phenoxy]hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OC1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations