Geometry & MOs

Info

ID:	423665
PubChem CID:	135119960
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	25.23
Dipole, Da:	2.79
IP(EA), eV:	-9.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=NO1)COC)CC2=NC(=NO2)C3=CC=CC(=C3)C

DOS

IR

Vibrations