Geometry & MOs

Info

ID:	228067
PubChem CID:	87563313
Reduced:	O2F4N4H24C27 (1)
Stoich.:	A2B4C4D24E27 (1)
Weight, g/mol:	386.092593
ΔH_f, kcal/mol:	-188.76
Dipole, Da:	7.73
IP(EA), eV:	-9.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperazin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C#CCCN1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)F)N=C1NCCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations