Geometry & MOs

Info

ID:	329679
PubChem CID:	126920624
Reduced:	N9C13H17 (1)
Stoich.:	A9B13C17 (1)
Weight, g/mol:	299.160692
ΔH_f, kcal/mol:	180.18
Dipole, Da:	3.28
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CN=N1)CN(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations