Geometry & MOs

Info

ID:	341063
PubChem CID:	127263498
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	301.088099
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	3.13
IP(EA), eV:	-9.64(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3R,5S)-5-fluoro-1-formylpiperidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1[C@H](CN(C[C@@H]1F)C=O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations