Geometry & MOs

Info

ID:	83088
PubChem CID:	49857132
Reduced:	SN2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	338.103083
ΔH_f, kcal/mol:	141.44
Dipole, Da:	0.91
IP(EA), eV:	-8.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-pyridin-2-ylethynyl)-N-[4-(trifluoromethyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NCC3=CC=CS3

DOS

IR

Vibrations