Geometry & MOs

Info

ID:	283843
PubChem CID:	104011987
Reduced:	OF2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	278.008075
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	6.95
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(2-chloro-6-fluorophenyl)-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)OC(F)F)\N)/C#N

DOS

IR

Vibrations