Geometry & MOs

Info

ID:	374853
PubChem CID:	131349553
Reduced:	BrClNOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	242.9695
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	2.83
IP(EA), eV:	-9.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C1=O)C=C(C=C2Br)Cl)N

DOS

IR

Vibrations