Geometry & MOs

Info

ID:	329632
PubChem CID:	126920410
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	377.121193
ΔH_f, kcal/mol:	79.59
Dipole, Da:	5.41
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C(=O)C4CCC=CC4

DOS

IR

Vibrations