Geometry & MOs

Info

ID:	428501
PubChem CID:	135167551
Reduced:	O2F3H9C18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	290.057909
ΔH_f, kcal/mol:	-164.97
Dipole, Da:	1.86
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=C(O3)C(=CC=C4)C(F)(F)F

DOS

IR

Vibrations