Geometry & MOs

Info

ID:	305859
PubChem CID:	124971548
Reduced:	BrN2O3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	512.16746
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	2.68
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-1-[(3S)-3-(2-oxo-2-piperidin-1-ylethyl)-3-(phenoxymethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[C@@]2(CCCN(C2)C(=O)CC3=CC=CC=C3Br)COC4=CC=CC=C4

DOS

IR

Vibrations