Geometry & MOs

Info

ID:	436113
PubChem CID:	135193858
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	308.048487
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	3.43
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-fluoro-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-14-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2=CC3=CC=CC=C3C=C2)C=O

DOS

IR

Vibrations