Geometry & MOs

Info

ID:	286536
PubChem CID:	104170933
Reduced:	ClOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	427.8809
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.0
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[1-bromo-2-(bromomethyl)-4-methoxypentan-2-yl]benzene

Drug info:

PubChemData

Smile

CC(CC(CBr)(CBr)C1=CC(=CC=C1)Cl)OC

DOS

IR

Vibrations