Geometry & MOs

Info

ID:	221359
PubChem CID:	85267836
Reduced:	BrF3N4O4H8C12 (1)
Stoich.:	AB3C4D4E8F12 (1)
Weight, g/mol:	409.134029
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	5.05
IP(EA), eV:	-9.29(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NC(=O)C(C(=N1)NC2=C(C=C(C=C2)OC(F)(F)F)Br)[N+](=O)[O-]

DOS

IR

Vibrations