Geometry & MOs

Info

ID:	407675
PubChem CID:	135080426
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	346.93434
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	6.0
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-bromo-3-[(1S)-1-bromoethyl]-1,3-dimethylindol-2-one

Drug info:

PubChemData

Smile

C1[C@H](OC(=O)N1)C#CC2=CC=CC=C2

DOS

IR

Vibrations