Geometry & MOs

Info

ID:	329619
PubChem CID:	126920365
Reduced:	SN6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	301.110965
ΔH_f, kcal/mol:	107.54
Dipole, Da:	6.56
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1CSCCC1NCC2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations