Geometry & MOs

Info

ID:	358805
PubChem CID:	127296673
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	7.27
IP(EA), eV:	-9.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations