Geometry & MOs

Info

ID:	137871
PubChem CID:	52275882
Reduced:	O3N4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-107.51
Dipole, Da:	10.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756020
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[2-[methyl(3-phenoxypropyl)amino]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[NH+](CC(=O)N)CC(=O)NC1=CC(=CC=C1)N2CCCC2=O

DOS

IR

Vibrations