Geometry & MOs

Info

ID:	272952
PubChem CID:	103768626
Reduced:	BrFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	3.71
IP(EA), eV:	-9.81(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-3-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NS(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations