Geometry & MOs

Info

ID:	385732
PubChem CID:	134979858
Reduced:	O2H18C21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	262.084124
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	1.68
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4aS,8aS)-8a-acetyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC=CC2=CC=CC=C21)/CC3=CC=CC=C3

DOS

IR

Vibrations