Geometry & MOs

Info

ID:	73415
PubChem CID:	48417649
Reduced:	OSH4N6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	408.17731
ΔH_f, kcal/mol:	104.17
Dipole, Da:	3.12
IP(EA), eV:	-9.63(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=NN(C(=C1C#N)N)C(=O)C2=NSN=C2

DOS

IR

Vibrations