Geometry & MOs

Info

ID:	56466
PubChem CID:	17435736
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	311.095771
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	7.4
IP(EA), eV:	-9.57(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-fluorophenyl)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(COC2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations