Geometry & MOs

Info

ID:	157293
PubChem CID:	56422581
Reduced:	ClFN2O3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	5.38
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations