Geometry & MOs

Info

ID:	79968
PubChem CID:	49831896
Reduced:	BrFO3N4H14C27 (1)
Stoich.:	ABC3D4E14F27 (1)
Weight, g/mol:	685.275139
ΔH_f, kcal/mol:	36.13
Dipole, Da:	7.93
IP(EA), eV:	-9.4(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=C(N=C3C(=C2)C=CC=N3)N4C=C(C(=N4)C5=CC6=C(C=CC(=C6)Br)OC5=O)C=O

DOS

IR

Vibrations