Geometry & MOs

Info

ID:	374852
PubChem CID:	131349551
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	258.93995
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	2.46
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-4-bromo-6-chloro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C([C@@H](CC2=O)N)C(=C1)Br

DOS

IR

Vibrations