Geometry & MOs

Info

ID:	241055
PubChem CID:	93621441
Reduced:	O2F3N4C13H17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-210.81
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC=CC=N2)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations