Geometry & MOs

Info

ID:	278961
PubChem CID:	103840116
Reduced:	BrFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	332.05357
ΔH_f, kcal/mol:	-120.39
Dipole, Da:	4.66
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=C(C=C1)Br)F)(CN(C)C)O

DOS

IR

Vibrations