Geometry & MOs

Info

ID:	329651
PubChem CID:	126920519
Reduced:	N8C17H18 (1)
Stoich.:	A8B17C18 (1)
Weight, g/mol:	300.144707
ΔH_f, kcal/mol:	169.61
Dipole, Da:	10.93
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2N1)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations