Geometry & MOs

Info

ID:	288966
PubChem CID:	104329106
Reduced:	BrFC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	345.9327
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	2.83
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations