Geometry & MOs

Info

ID:	338634
PubChem CID:	127259645
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	0.86
Dipole, Da:	3.48
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations