Geometry & MOs

Info

ID:	24623
PubChem CID:	611429
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	1.48
IP(EA), eV:	-10.36(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methyl-1,4-dioxonaphthalen-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C(=O)C2=CC=CC=C2C1=O)C

DOS

IR

Vibrations