Geometry & MOs

Info

ID:	200852
PubChem CID:	79453329
Reduced:	FOCl2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	358.03299
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	5.28
IP(EA), eV:	-9.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(bromomethyl)-1-(3-methylbutoxy)hexane

Drug info:

PubChemData

Smile

COCCC(CCl)(CCl)C1=CC=CC=C1F

DOS

IR

Vibrations