Geometry & MOs

Info

ID:	422879
PubChem CID:	135118554
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-142.55
Dipole, Da:	7.03
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)C2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations