Geometry & MOs

Info

ID:	158530
PubChem CID:	56464137
Reduced:	SO3N5C23H37 (1)
Stoich.:	AB3C5D23E37 (1)
Weight, g/mol:	425.215093
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	7.88
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations