Geometry & MOs

Info

ID:	157286
PubChem CID:	56422504
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	9.11
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations