Geometry & MOs

Info

ID:	423778
PubChem CID:	135120192
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	80.57
Dipole, Da:	3.51
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2CNC(=O)C3C(=C3C4=CC=CC=C4)C)C

DOS

IR

Vibrations