Geometry & MOs

Info

ID:	346646
PubChem CID:	127271150
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-194.77
Dipole, Da:	4.65
IP(EA), eV:	-9.7(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations