Geometry & MOs

Info

ID:	355521
PubChem CID:	127288584
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	7.37
Dipole, Da:	4.11
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C2=NN=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations