Geometry & MOs

Info

ID:	59693
PubChem CID:	24893915
Reduced:	BrFN5C8H11 (1)
Stoich.:	ABC5D8E11 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	15.69
Dipole, Da:	3.69
IP(EA), eV:	-7.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(E)-[amino(diaminomethylideneazaniumyl)methylidene]-(4-ethoxycarbonylphenyl)azanium

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)/[NH+]=C(\N)/[NH+]=C(N)N

DOS

IR

Vibrations