Geometry & MOs

Info

ID:	344641
PubChem CID:	127268226
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-5.68
Dipole, Da:	6.24
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NC(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations