Geometry & MOs

Info

ID:	18309
PubChem CID:	539584
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-213.43
Dipole, Da:	2.66
IP(EA), eV:	-10.76(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-acetyloxycyclohexyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCCCC1CCC(=O)OC

DOS

IR

Vibrations