Geometry & MOs

Info

ID:	329659
PubChem CID:	126920549
Reduced:	N8C17H20 (1)
Stoich.:	A8B17C20 (1)
Weight, g/mol:	296.149793
ΔH_f, kcal/mol:	164.94
Dipole, Da:	8.2
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N(C)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations