Geometry & MOs

Info

ID:	10572
PubChem CID:	104640
Reduced:	O5C16H24 (1)
Stoich.:	A5B16C24 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	2.63
IP(EA), eV:	-9.55(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene

Drug info:

PubChemData

Smile

C1COCCOCC2=CC(=CC=C2)COCCOCCO1

DOS

IR

Vibrations