Geometry & MOs

Info

ID:	156795
PubChem CID:	56385655
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	411.139448
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	2.64
IP(EA), eV:	-8.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations