Geometry & MOs

Info

ID:	362050
PubChem CID:	127305587
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	4.72
IP(EA), eV:	-8.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations