Geometry & MOs

Info

ID:

37591

PubChem CID:

8022514

Reduced:

ON2C9H11 (1)

Stoich.:

AB2C9D11 (1)

Weight, g/mol:

226.982

ΔHf, kcal/mol:

4.06

Dipole, Da:

3.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.989665

Charge, e:

 1

Chem-info

IUPAC name:

[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]azanium

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@H](C1=O)[NH3+]

DOS

IR

Vibrations