Geometry & MOs

Info

ID:	157340
PubChem CID:	56422901
Reduced:	F3O4N5C22H24 (1)
Stoich.:	A3B4C5D22E24 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-242.48
Dipole, Da:	7.87
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations