Geometry & MOs

Info

ID:	141196
PubChem CID:	52834999
Reduced:	BrFON2C22H25 (1)
Stoich.:	ABCD2E22F25 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-1.92
Dipole, Da:	6.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032603
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCN(C1)C(=O)[C@H]2C[C@@H]2C3=CC(=CC=C3)Br)CC4=CC=CC=C4F

DOS

IR

Vibrations