Geometry & MOs

Info

ID:	308410
PubChem CID:	125326937
Reduced:	FN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	461.160515
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	4.18
IP(EA), eV:	-9.87(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C=NC(=CC1=O)C(=O)NCC2=CC(=CC=C2)F

DOS

IR

Vibrations