Geometry & MOs

Info

ID:	8887
PubChem CID:	83063
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	3.69
IP(EA), eV:	-9.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetylphenyl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations