Geometry & MOs

Info

ID:	344627
PubChem CID:	127268212
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	19.23
Dipole, Da:	2.93
IP(EA), eV:	-8.67(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-3-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CC2)C(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations