Geometry & MOs

Info

ID:	57186
PubChem CID:	22395443
Reduced:	ClNF3O4H9C14 (1)
Stoich.:	ABC3D4E9F14 (1)
Weight, g/mol:	347.007528
ΔH_f, kcal/mol:	-176.51
Dipole, Da:	2.4
IP(EA), eV:	-9.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[e]isoindole-1,3-dione;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)OC2=CC(=C(C(=C2Cl)F)F)F)[N+](=O)[O-]

DOS

IR

Vibrations