Geometry & MOs

Info

ID:	304416
PubChem CID:	124588056
Reduced:	BrN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	334.16166
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	4.57
IP(EA), eV:	-9.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCCN1C(=O)C2=C(C=NC=C2)Br

DOS

IR

Vibrations