Geometry & MOs

Info

ID:	138806
PubChem CID:	52427407
Reduced:	NF3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-246.81
Dipole, Da:	16.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764089
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-methyl-6-oxo-2-phenyl-N-prop-2-enylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3C[NH2+]C4CCCC4)O)C(F)(F)F

DOS

IR

Vibrations