Geometry & MOs

Info

ID:	372143
PubChem CID:	131293752
Reduced:	NOSH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	260.96008
ΔH_f, kcal/mol:	25.75
Dipole, Da:	5.0
IP(EA), eV:	-9.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-bromo-5,7-difluoro-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C2=CC=C(S2)C#N

DOS

IR

Vibrations