Geometry & MOs

Info

ID:	275632
PubChem CID:	103816824
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	349.01137
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	2.96
IP(EA), eV:	-9.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)CCC(=N1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations