Geometry & MOs

Info

ID:	329652
PubChem CID:	126920522
Reduced:	ON8C13H16 (1)
Stoich.:	AB8C13D16 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	139.71
Dipole, Da:	10.58
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations