Geometry & MOs

Info

ID:	11628
PubChem CID:	118244
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	-143.84
Dipole, Da:	2.48
IP(EA), eV:	-10.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzoyloxymethyl)cyclohexyl]methyl benzoate

Drug info:

PubChemData

Smile

C1CC(CCC1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations