Geometry & MOs

Info

ID:	69745
PubChem CID:	47205316
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	5.32
IP(EA), eV:	-9.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-oxo-2-piperidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations