Geometry & MOs

Info

ID:	268554
PubChem CID:	103599981
Reduced:	FOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	336.05251
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-[(4-butan-2-ylphenoxy)methyl]-2-fluorobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations