Geometry & MOs

Info

ID:	355522
PubChem CID:	127288585
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	1.48
Dipole, Da:	3.85
IP(EA), eV:	-8.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)NC2=NN=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations