Geometry & MOs

Info

ID:	378084
PubChem CID:	134224155
Reduced:	NCl2F3O4H12C23 (1)
Stoich.:	AB2C3D4E12F23 (1)
Weight, g/mol:	311.095771
ΔH_f, kcal/mol:	-243.8
Dipole, Da:	3.4
IP(EA), eV:	-9.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-benzoyl-6-fluoro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C3=C(C=CC(=C3)Cl)C(=C2C(=O)O)C(=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations