Geometry & MOs

Info

ID:	407818
PubChem CID:	135080573
Reduced:	O2Cl4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-164.98
Dipole, Da:	2.29
IP(EA), eV:	-10.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-methyl-2-(2-oxopropyl)cyclopentyl] acetate

Drug info:

PubChemData

Smile

COC(=O)CCCCCCC(CC(Cl)(Cl)Cl)Cl

DOS

IR

Vibrations