Geometry & MOs

Info

ID:	396591
PubChem CID:	135028809
Reduced:	OF2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	344.96367
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.91
IP(EA), eV:	-9.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-5-bromo-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=CC(=C3)C(F)F

DOS

IR

Vibrations