Geometry & MOs

Info

ID:	421081
PubChem CID:	135115360
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	329.119399
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	4.43
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations