Geometry & MOs

Info

ID:	417908
PubChem CID:	135103043
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-150.05
Dipole, Da:	3.65
IP(EA), eV:	-9.52(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2C(=O)C3CCOCC3)(CC4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations