Geometry & MOs

Info

ID:	244796
PubChem CID:	99381471
Reduced:	BrN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-125.52
Dipole, Da:	6.62
IP(EA), eV:	-8.89(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[4-(2-bromophenoxy)butanoyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)CCCOC2=CC=CC=C2Br

DOS

IR

Vibrations