Geometry & MOs

Info

ID:	143205
PubChem CID:	53164052
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	307.14331
ΔH_f, kcal/mol:	45.02
Dipole, Da:	4.98
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C(=N1)CNC(=O)C3=C4C=CNC4=CC=C3

DOS

IR

Vibrations