Geometry & MOs

Info

ID:	169693
PubChem CID:	75138112
Reduced:	ClN2O2F3H16C19 (1)
Stoich.:	AB2C2D3E16F19 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-198.27
Dipole, Da:	3.48
IP(EA), eV:	-9.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenylprop-2-enoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CNC(=O)C=CC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations