Geometry & MOs

Info

ID:	184033
PubChem CID:	77102583
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	18.13
Dipole, Da:	6.33
IP(EA), eV:	-8.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1CC2CN(CC2CC1N)C3=CC4=NNC(=O)N4C=N3

DOS

IR

Vibrations