Geometry & MOs

Info

ID:	17310
PubChem CID:	492460
Reduced:	O5H12C14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	260.068473
ΔH_f, kcal/mol:	-154.4
Dipole, Da:	3.42
IP(EA), eV:	-9.82(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-3-methyl-5,8-dioxonaphthalen-1-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C=C(C2=O)OC

DOS

IR

Vibrations