Geometry & MOs

Info

ID:	338702
PubChem CID:	127259713
Reduced:	ON4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	187.060884
ΔH_f, kcal/mol:	72.72
Dipole, Da:	3.23
IP(EA), eV:	-7.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3,3,3-trifluoroprop-1-enyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=NC(=C(O2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N

DOS

IR

Vibrations