Geometry & MOs

Info

ID:	77931
PubChem CID:	49674816
Reduced:	BrO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	4.53
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)OCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations