Geometry & MOs

Info

ID:	308411
PubChem CID:	125327208
Reduced:	ClNO6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	461.160515
ΔH_f, kcal/mol:	-221.2
Dipole, Da:	2.56
IP(EA), eV:	-8.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-chloroethyl] (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-ethoxyphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@@H]2CCN(C[C@@H]2COC3=CC4=C(C=C3)OCO4)C(=O)O[C@@H](C)Cl

DOS

IR

Vibrations