Geometry & MOs

Info

ID:	157300
PubChem CID:	56422771
Reduced:	BrO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	12.82
IP(EA), eV:	-8.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenoxyanilino)ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations