Geometry & MOs

Info

ID:	329627
PubChem CID:	126920397
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	365.105879
ΔH_f, kcal/mol:	61.91
Dipole, Da:	5.22
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C(=O)C4CCCC4

DOS

IR

Vibrations