Geometry & MOs

Info

ID:	284590
PubChem CID:	104054043
Reduced:	BrOCl3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	451.8768
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	2.66
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxy-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=C(C=C(C=C2)Cl)Cl)Cl)C)Br

DOS

IR

Vibrations