Geometry & MOs

Info

ID:	329636
PubChem CID:	126920418
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	298.129057
ΔH_f, kcal/mol:	21.63
Dipole, Da:	7.57
IP(EA), eV:	-9.61(-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]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C(=O)CC4CCCO4

DOS

IR

Vibrations