Geometry & MOs

Info

ID:	204966
PubChem CID:	80037644
Reduced:	OF3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	330.984561
ΔH_f, kcal/mol:	-144.17
Dipole, Da:	4.37
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCN(CCC#N)C(=O)C1=C(C=CC(=C1)C(F)(F)F)NN

DOS

IR

Vibrations