Geometry & MOs

Info

ID:	288963
PubChem CID:	104329079
Reduced:	FOBr2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	296.00122
ΔH_f, kcal/mol:	-48.02
Dipole, Da:	1.8
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(4-fluorophenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC(=C(C=C2)OC)Br)Br

DOS

IR

Vibrations