Geometry & MOs

Info

ID:	83086
PubChem CID:	49857130
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	338.037754
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	1.65
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2

DOS

IR

Vibrations