Geometry & MOs

Info

ID:	70888
PubChem CID:	48414001
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	3.6
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations