Geometry & MOs

Info

ID:	344631
PubChem CID:	127268216
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	384.207388
ΔH_f, kcal/mol:	33.59
Dipole, Da:	3.14
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations