Geometry & MOs

Info

ID:	436084
PubChem CID:	135193748
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	290.057909
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	5.23
IP(EA), eV:	-9.35(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,14-trioxapentacyclo[11.8.0.02,10.03,7.015,20]henicosa-1(13),2(10),3(7),8,11,15,17,19-octaen-21-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations