Geometry & MOs

Info

ID:	212567
PubChem CID:	81061032
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-20.49
Dipole, Da:	4.05
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyano-2,6-dimethylpyridin-4-yl)-N-methylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)F)OC

DOS

IR

Vibrations