Geometry & MOs

Info

ID:	312544
PubChem CID:	126606374
Reduced:	O5C22H24 (1)
Stoich.:	A5B22C24 (1)
Weight, g/mol:	398.05775
ΔH_f, kcal/mol:	-151.65
Dipole, Da:	4.9
IP(EA), eV:	-8.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]chromen-7-yl] acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C(=C/C2=C(C=C(C=C2)OC(=O)C)OC)/C=O

DOS

IR

Vibrations