Geometry & MOs

Info

ID:	374854
PubChem CID:	131349554
Reduced:	BrFNOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	242.9695
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	2.35
IP(EA), eV:	-9.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C2=C(C1=O)C=C(C=C2F)Br)N

DOS

IR

Vibrations