Geometry & MOs

Info

ID:	314319
PubChem CID:	126621339
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	540.214803
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	4.03
IP(EA), eV:	-9.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-[[6-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)naphthalen-1-yl]methoxy]naphthalen-2-yl]-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C[C@@H]1CCC([C@@H](C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations