Geometry & MOs

Info

ID:	329678
PubChem CID:	126920622
Reduced:	ON8C15H18 (1)
Stoich.:	AB8C15D18 (1)
Weight, g/mol:	299.160692
ΔH_f, kcal/mol:	150.5
Dipole, Da:	11.37
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NN=C(O1)C2CC2)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations