Geometry & MOs

Info

ID:	329654
PubChem CID:	126920525
Reduced:	ON7C14H17 (1)
Stoich.:	AB7C14D17 (1)
Weight, g/mol:	369.100794
ΔH_f, kcal/mol:	135.33
Dipole, Da:	5.75
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NO1)CN(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations