Geometry & MOs

Info

ID:	23012
PubChem CID:	600876
Reduced:	O6H40C43 (1)
Stoich.:	A6B40C43 (1)
Weight, g/mol:	652.282489
ΔH_f, kcal/mol:	-135.98
Dipole, Da:	6.67
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-(4-butoxybenzoyl)oxynaphthalen-1-yl]methyl]naphthalen-2-yl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)CC4=C(C=CC5=CC=CC=C54)OC(=O)C6=CC=C(C=C6)OCCCC

DOS

IR

Vibrations