Geometry & MOs

Info

ID:	124305
PubChem CID:	50878036
Reduced:	BrN2F3H8C15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	264.97384
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	2.27
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(2-methylphenyl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC2=C3C=C(C=C(C3=NC=C2)F)F

DOS

IR

Vibrations