Geometry & MOs

Info

ID:	292260
PubChem CID:	114774149
Reduced:	IO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	338.11066
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	2.11
IP(EA), eV:	-9.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutoxy)-1-(iodomethyl)-4-methylcyclohexane

Drug info:

PubChemData

Smile

CCCOCCOC1CCCCC1I

DOS

IR

Vibrations