Geometry & MOs

Info

ID:	127315
PubChem CID:	50998151
Reduced:	BrClF2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	253.9404
ΔH_f, kcal/mol:	-77.83
Dipole, Da:	2.94
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-difluoro-4-iodo-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)Br)F)F

DOS

IR

Vibrations