Geometry & MOs

Info

ID:	21477
PubChem CID:	588586
Reduced:	O2C12H21 (2)
Stoich.:	A2B12C21 (2)
Weight, g/mol:	394.30831
ΔH_f, kcal/mol:	-257.5
Dipole, Da:	1.8
IP(EA), eV:	-10.0(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-(4-pentylcyclohexyl)cyclohexyl]oxyoxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(CC2)OC3CCC(CO3)OC(=O)C

DOS

IR

Vibrations