Geometry & MOs

Info

ID:	263762
PubChem CID:	103396287
Reduced:	BrClFOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	393.93384
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	2.92
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene

Drug info:

PubChemData

Smile

CCC(C)CC(C1=CC(=C(C=C1OC)F)Br)Cl

DOS

IR

Vibrations