Geometry & MOs

Info

ID:	286535
PubChem CID:	104170932
Reduced:	ClOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	383.93142
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	5.04
IP(EA), eV:	-9.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-2-(bromomethyl)-4-methoxypentan-2-yl]-3-chlorobenzene

Drug info:

PubChemData

Smile

CC(CC(CBr)(CBr)C1=CC=CC=C1Cl)OC

DOS

IR

Vibrations