Geometry & MOs

Info

ID:	417080
PubChem CID:	135091288
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	6.56
IP(EA), eV:	-9.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=CN3)C#N

DOS

IR

Vibrations