Geometry & MOs

Info

ID:	208348
PubChem CID:	80522112
Reduced:	F3N4H9C14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	294.055991
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	1.11
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-chloro-3-(5-methyl-1-benzofuran-2-yl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(NN=C2N)C3=C(C=C(C=C3F)F)F

DOS

IR

Vibrations