Geometry & MOs

Info

ID:	320734
PubChem CID:	126663143
Reduced:	NOF3C13H15 (2)
Stoich.:	ABC3D13E15 (2)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-352.65
Dipole, Da:	6.78
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(hydroxymethyl)-5-nitro-2-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@@H](CN2)CCC(=O)N=C)C3CC=CC=C3

DOS

IR

Vibrations