Geometry & MOs

Info

ID:	417176
PubChem CID:	135091574
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	325.144471
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	4.22
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)CCCNC(=O)C2=NN3CC(CNC(=O)C3=C2)O)C

DOS

IR

Vibrations