Geometry & MOs

Info

ID:	394736
PubChem CID:	135023663
Reduced:	N2F3H17C23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	371.129712
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	9.34
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1,3-diphenylprop-2-enyl]-4-fluoro-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)NC3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations