Geometry & MOs

Info

ID:	359340
PubChem CID:	127298389
Reduced:	SO3N4C18H28 (1)
Stoich.:	AB3C4D18E28 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.38
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CSC(=N3)COC

DOS

IR

Vibrations