Geometry & MOs

Info

ID:	286525
PubChem CID:	104170895
Reduced:	OC4H8 (3)
Stoich.:	AB4C8 (3)
Weight, g/mol:	226.089121
ΔH_f, kcal/mol:	-171.33
Dipole, Da:	4.63
IP(EA), eV:	-9.9(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(chloromethyl)-5-methoxy-2-methylhexane

Drug info:

PubChemData

Smile

CC(CC(CO)(CO)C1CCCC1)OC

DOS

IR

Vibrations