Geometry & MOs

Info

ID:	341064
PubChem CID:	127263499
Reduced:	ClFNO3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	3.66
IP(EA), eV:	-9.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations