Geometry & MOs

Info

ID:	329681
PubChem CID:	126920627
Reduced:	N9C17H23 (1)
Stoich.:	A9B17C23 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	152.19
Dipole, Da:	13.96
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC1=NN=C2N1CCCCC2)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations