Geometry & MOs

Info

ID:	27289
PubChem CID:	820278
Reduced:	OF2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	2.92
IP(EA), eV:	-10.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-bromoethyl)-3-methyl-1-phenylindol-2-one

Drug info:

PubChemData

Smile

C1[C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations