Geometry & MOs

Info

ID:	200516
PubChem CID:	79403955
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	362.88374
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	2.66
IP(EA), eV:	-9.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2,5-dibromo-4-methoxyphenoxy)methyl-trifluoroboranuide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CC2=CC=CC=C2Cl)O)O

DOS

IR

Vibrations