Geometry & MOs

Info

ID:	286531
PubChem CID:	104170924
Reduced:	OBr2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	363.98604
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	3.28
IP(EA), eV:	-9.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(C)OC)(CBr)CBr

DOS

IR

Vibrations