Geometry & MOs

Info

ID:	329687
PubChem CID:	126920883
Reduced:	SO2N8C16H22 (1)
Stoich.:	AB2C8D16E22 (1)
Weight, g/mol:	417.152493
ΔH_f, kcal/mol:	47.74
Dipole, Da:	6.21
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(C=C2)N3CC(C3)CNS(=O)(=O)C4=CN(C=N4)C(C)C

DOS

IR

Vibrations