Geometry & MOs

Info

ID:	428498
PubChem CID:	135167548
Reduced:	O2F3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	290.057909
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	1.25
IP(EA), eV:	-9.3(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,8-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),3,5(9),10,13,15,17,19-octaen-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C4C(=C3)C=CC=C4C(F)(F)F

DOS

IR

Vibrations