Geometry & MOs

Info

ID:	20800
PubChem CID:	585779
Reduced:	O3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	312.157288
ΔH_f, kcal/mol:	-214.71
Dipole, Da:	1.68
IP(EA), eV:	-8.45(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene

Drug info:

PubChemData

Smile

C1COCCOCCOC2=CC=CC=C2OCCOCCO1

DOS

IR

Vibrations