Geometry & MOs

Info

ID:	338659
PubChem CID:	127259670
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	3.79
IP(EA), eV:	-9.66(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-cyanophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)NCCOCCO

DOS

IR

Vibrations