Geometry & MOs

Info

ID:	284914
PubChem CID:	104082493
Reduced:	ClO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	318.02669
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	3.96
IP(EA), eV:	-9.32(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-3-fluorophenoxy)hexanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)OCC1=CC=C(C=C1)Cl

DOS

IR

Vibrations