Geometry & MOs

Info

ID:	351835
PubChem CID:	127282235
Reduced:	SN3O3C14H27 (1)
Stoich.:	AB3C3D14E27 (1)
Weight, g/mol:	371.243359
ΔH_f, kcal/mol:	-139.07
Dipole, Da:	8.33
IP(EA), eV:	-9.02(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations