Geometry & MOs

Info

ID:	428512
PubChem CID:	135167562
Reduced:	F2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	290.057909
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	2.09
IP(EA), eV:	-9.19(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15,17,19-octaen-21-one

Drug info:

PubChemData

Smile

C1=CC2=CC3=C(C=C2C(=C1)F)C(=O)C4=C(O3)C(=CC=C4)F

DOS

IR

Vibrations