Geometry & MOs

Info

ID:	269034
PubChem CID:	103606733
Reduced:	SN2O5C12H18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	286.115379
ΔH_f, kcal/mol:	-183.06
Dipole, Da:	7.17
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-piperidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COCCOC)S(=O)(=O)N

DOS

IR

Vibrations