Geometry & MOs

Info

ID:	282245
PubChem CID:	103920111
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	289.01137
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	3.76
IP(EA), eV:	-8.65(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)CCCOC1=CC=CC=C1C

DOS

IR

Vibrations