Geometry & MOs

Info

ID:	416041
PubChem CID:	135089046
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	25.11
Dipole, Da:	1.87
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=NC=CC(=C3)C#N

DOS

IR

Vibrations