Geometry & MOs

Info

ID:	7948
PubChem CID:	74513
Reduced:	OH2C3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	216.042259
ΔH_f, kcal/mol:	-102.57
Dipole, Da:	1.93
IP(EA), eV:	-10.44(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dioxonaphthalen-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations