Geometry & MOs

Info

ID:

40068

PubChem CID:

8143517

Reduced:

O2N3C18H24 (1)

Stoich.:

A2B3C18D24 (1)

Weight, g/mol:

231.113353

ΔHf, kcal/mol:

-51.33

Dipole, Da:

3.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757719

Charge, e:

 1

Chem-info

IUPAC name:

1-(pyrrolidin-1-ium-1-ylmethyl)indole-2,3-dione

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCCC2)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations