Geometry & MOs

Info

ID:	350029
PubChem CID:	127276902
Reduced:	N4C6H7 (2)
Stoich.:	A4B6C7 (2)
Weight, g/mol:	337.126278
ΔH_f, kcal/mol:	154.51
Dipole, Da:	9.01
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN3C(=NN=N3)C=C2)C4=NC=CN4

DOS

IR

Vibrations