Geometry & MOs

Info

ID:	81912
PubChem CID:	49855342
Reduced:	OF3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	290.055464
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	5.99
IP(EA), eV:	-9.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[[2-(trifluoromethyl)phenyl]methylidene]-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)C#CC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations