Geometry & MOs

Info

ID:	354756
PubChem CID:	127287516
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	1.54
IP(EA), eV:	-8.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)-2-[4-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(CNC1=C(C=CC=N1)S(=O)(=O)N2CCCCC2)N3CCOCC3

DOS

IR

Vibrations