Geometry & MOs

Info

ID:	260487
PubChem CID:	103193470
Reduced:	BrO2F3N3C11H13 (1)
Stoich.:	AB2C3D3E11F13 (1)
Weight, g/mol:	332.99761
ΔH_f, kcal/mol:	-187.99
Dipole, Da:	3.64
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=C1)Br)OC(F)(F)F)/C(=N/O)/N

DOS

IR

Vibrations