Geometry & MOs

Info

ID:	422904
PubChem CID:	135118592
Reduced:	NF3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-266.49
Dipole, Da:	3.5
IP(EA), eV:	-9.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C(=CC(=C2)F)F)F)C(=O)O

DOS

IR

Vibrations