Geometry & MOs

Info

ID:	157193
PubChem CID:	56422379
Reduced:	ClF2N4O4H17C18 (1)
Stoich.:	AB2C4D4E17F18 (1)
Weight, g/mol:	418.06405
ΔH_f, kcal/mol:	-206.57
Dipole, Da:	12.78
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromo-4-methylanilino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl

DOS

IR

Vibrations