Geometry & MOs

Info

ID:	275912
PubChem CID:	103819050
Reduced:	BrFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	4.27
IP(EA), eV:	-9.68(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1NC(=O)C2=CC(=CC(=C2)Br)[N+](=O)[O-])F

DOS

IR

Vibrations