Geometry & MOs

Info

ID:	428545
PubChem CID:	135167604
Reduced:	F3O3H11C19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	358.045293
ΔH_f, kcal/mol:	-206.04
Dipole, Da:	5.16
IP(EA), eV:	-9.29(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-(trifluoromethyl)-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

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C4C=CC=C(C4=C3)C(F)(F)F

DOS

IR

Vibrations