Geometry & MOs

Info

ID:

165467

PubChem CID:

74553163

Reduced:

ClON3C19H31 (1)

Stoich.:

ABC3D19E31 (1)

Weight, g/mol:

222.056646

ΔHf, kcal/mol:

-19.41

Dipole, Da:

4.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752102

Charge, e:

 -1

Chem-info

IUPAC name:

2-(6-fluoro-1-methyl-2-oxo-3H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

CC[NH+]1CCNC1CN2CCC(CC2)(CC3=CC=CC=C3Cl)CO

DOS

IR

Vibrations