Geometry & MOs

Info

ID:	286532
PubChem CID:	104170926
Reduced:	OBr2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	383.93142
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	4.04
IP(EA), eV:	-9.34(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(C)OC)(CBr)CBr

DOS

IR

Vibrations