Geometry & MOs

Info

ID:	437739
PubChem CID:	135226968
Reduced:	BrIOF2H6C12 (1)
Stoich.:	ABCD2E6F12 (1)
Weight, g/mol:	273.98271
ΔH_f, kcal/mol:	-53.75
Dipole, Da:	1.84
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-cyclopentylsulfanyl-1-fluorobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)OC2=C(C=C(C=C2)I)Br

DOS

IR

Vibrations