Geometry & MOs

Info

ID:	329630
PubChem CID:	126920404
Reduced:	ON8H16C18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	313.128723
ΔH_f, kcal/mol:	149.32
Dipole, Da:	4.43
IP(EA), eV:	-9.56(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C(=O)C4=NC5=CC=CC=C5N=C4

DOS

IR

Vibrations