Geometry & MOs

Info

ID:	428537
PubChem CID:	135167588
Reduced:	O2F3H11C19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	334.047738
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	5.98
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,12,18,20-pentaoxahexacyclo[11.11.0.03,11.04,8.015,23.017,21]tetracosa-1(13),3(11),4(8),9,14,16,21,23-octaen-2-one

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)C(=O)C4=C(C=CC=C4O3)C(F)(F)F

DOS

IR

Vibrations