Geometry & MOs

Info

ID:	413954
PubChem CID:	135086905
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	329.00514
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	4.24
IP(EA), eV:	-9.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-oxo-N-phenyl-1,2-dihydroindene-2-carboxamide

Drug info:

PubChemData

Smile

C1C=CC(=O)C1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations