Geometry & MOs

Info

ID:	25952
PubChem CID:	634715
Reduced:	CoO2H21C31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	518.194068
ΔH_f, kcal/mol:	121.06
Dipole, Da:	43.28
IP(EA), eV:	-9.96(-5.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-acetyloxy-5,8-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-2-methylnaphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[CH-]1[C-]([C-]([C-]([C-]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Co]

DOS

IR

Vibrations