Geometry & MOs

Info

ID:	260216
PubChem CID:	103184959
Reduced:	ClO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	236.154308
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	5.61
IP(EA), eV:	-9.32(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-1-(3-methoxypropoxy)-3-methylhexane

Drug info:

PubChemData

Smile

COCCCOCCC(CO)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations