Geometry & MOs

Info

ID:	329647
PubChem CID:	126920509
Reduced:	N7C16H25 (1)
Stoich.:	A7B16C25 (1)
Weight, g/mol:	295.154544
ΔH_f, kcal/mol:	109.03
Dipole, Da:	8.69
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCN1CCCCC1)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations