Geometry & MOs

Info

ID:	419644
PubChem CID:	135108618
Reduced:	OF3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-154.18
Dipole, Da:	5.96
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC(=N2)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4)C(F)(F)F

DOS

IR

Vibrations