Geometry & MOs

Info

ID:	428534
PubChem CID:	135167585
Reduced:	O6H10C19 (1)
Stoich.:	A6B10C19 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	2.19
IP(EA), eV:	-8.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,8,18,20-pentaoxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),3,5(9),10,14,16,21,23-octaen-12-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C3=CC4=C(C=C3C=C2)OC5=CC6=C(C=C5C4=O)OCO6

DOS

IR

Vibrations