Geometry & MOs

Info

ID:	211713
PubChem CID:	81050341
Reduced:	FICl2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	354.01862
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	2.46
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=CC=CC=C2I)Cl

DOS

IR

Vibrations