Geometry & MOs

Info

ID:	436087
PubChem CID:	135193760
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	2.97
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,14,19,21-pentaoxahexacyclo[11.11.0.02,10.03,7.015,23.018,22]tetracosa-1(13),2(10),3(7),8,11,15(23),16,18(22)-octaen-24-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)OC3=C(C2=O)C4=C(C=CC(=C4)F)C=C3

DOS

IR

Vibrations