Geometry & MOs

Info

ID:	420858
PubChem CID:	135114934
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	40.88
Dipole, Da:	4.36
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCCCC3=CN=CC=C3

DOS

IR

Vibrations