Geometry & MOs

Info

ID:	206768
PubChem CID:	80298263
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	-1.16
Dipole, Da:	6.51
IP(EA), eV:	-9.33(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluoro-2-methylphenyl)ethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=CC(=NC=C1)C#N

DOS

IR

Vibrations