Geometry & MOs

Info

ID:	408376
PubChem CID:	135081142
Reduced:	BBrN6F12C24 (1)
Stoich.:	ABC6D12E24 (1)
Weight, g/mol:	2778.69113
ΔH_f, kcal/mol:	-391.19
Dipole, Da:	4.32
IP(EA), eV:	-8.74(-3.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C(=C3N=C6[N+]1=C(C7=C6C(=C(C(=C7F)F)F)F)N=C8N2C(=N4)C9=C8C(=C(C(=C9F)F)F)F)C(=C(C(=C5F)F)F)F)Br

DOS

IR

Vibrations