Geometry & MOs

Info

ID:	138746
PubChem CID:	52419341
Reduced:	FN5C17H18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	340.144787
ΔH_f, kcal/mol:	64.03
Dipole, Da:	8.09
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C2=NN3C(=NN=C3C4=CC=CC=C4F)C=C2

DOS

IR

Vibrations