Geometry & MOs

Info

ID:	268555
PubChem CID:	103599982
Reduced:	BrFOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	288.152558
ΔH_f, kcal/mol:	-57.08
Dipole, Da:	1.83
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butan-2-ylphenoxy)methyl]-2-fluoro-1-methoxybenzene

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations