Geometry & MOs

Info

ID:	298832
PubChem CID:	117659827
Reduced:	ON3H29C46 (1)
Stoich.:	AB3C29D46 (1)
Weight, g/mol:	842.360739
ΔH_f, kcal/mol:	200.31
Dipole, Da:	3.63
IP(EA), eV:	-8.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[10-(phenylmethoxymethyl)anthracen-9-yl]methyl] 2-tert-butylbenzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC(=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=CC=C7N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations