Geometry & MOs

Info

ID:	83087
PubChem CID:	49857131
Reduced:	Cl2N2H12C19 (1)
Stoich.:	A2B2C12D19 (1)
Weight, g/mol:	290.08777
ΔH_f, kcal/mol:	119.92
Dipole, Da:	4.15
IP(EA), eV:	-8.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-pyridin-2-ylethynyl)-N-(thiophen-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations