Geometry & MOs

Info

ID:	130177
PubChem CID:	51075152
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	293.107674
ΔH_f, kcal/mol:	48.23
Dipole, Da:	4.78
IP(EA), eV:	-9.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations