Geometry & MOs

Info

ID:	157187
PubChem CID:	56422370
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	408.140925
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	10.87
IP(EA), eV:	-8.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations