Geometry & MOs

Info

ID:	428533
PubChem CID:	135167584
Reduced:	O2F3H11C19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-170.79
Dipole, Da:	5.63
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,14,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,11,15,17(21),22-octaen-24-one

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)OC4=CC=CC(=C4C3=O)C(F)(F)F

DOS

IR

Vibrations