Geometry & MOs

Info

ID:	242642
PubChem CID:	97857685
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	4.03
IP(EA), eV:	-9.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](CCO)NC(=O)C1=CC=CC=N1

DOS

IR

Vibrations