Geometry & MOs

Info

ID:	255908
PubChem CID:	103135559
Reduced:	BrON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	259.111719
ΔH_f, kcal/mol:	55.43
Dipole, Da:	3.59
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC3=C(O2)C(=CC=C3)Br)N

DOS

IR

Vibrations