Geometry & MOs

Info

ID:	307335
PubChem CID:	125299610
Reduced:	BrO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	324.80444
ΔH_f, kcal/mol:	48.25
Dipole, Da:	3.69
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chloro-3H-pyrrol-2-yl)-2,2,2-trichloroethanone

Drug info:

PubChemData

Smile

C[C@H]1C2=C(N=N1)OC(=C([C@H]2C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Br)C#N)N

DOS

IR

Vibrations