Geometry & MOs

Info

ID:	320806
PubChem CID:	126663607
Reduced:	N2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	247.110947
ΔH_f, kcal/mol:	64.65
Dipole, Da:	4.61
IP(EA), eV:	-9.23(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylamino)-5-[2-(6-methylpyridin-2-yl)ethynyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CC#N)C1=CCCC(=C1)C2=CC=NC=C2

DOS

IR

Vibrations