Geometry & MOs

Info

ID:	77930
PubChem CID:	49674690
Reduced:	FO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	404.08479
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	2.86
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations