Geometry & MOs

Info

ID:	18324
PubChem CID:	539646
Reduced:	ClO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-170.49
Dipole, Da:	3.48
IP(EA), eV:	-9.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[acetyloxy-(4-chlorophenyl)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC=C(C=C1)Cl)OC(=O)C

DOS

IR

Vibrations