Geometry & MOs

Info

ID:	401332
PubChem CID:	135050976
Reduced:	F3N3O5H12C17 (1)
Stoich.:	A3B3C5D12E17 (1)
Weight, g/mol:	401.99637
ΔH_f, kcal/mol:	-202.76
Dipole, Da:	4.06
IP(EA), eV:	-10.02(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(4-bromobenzoyl)-methylamino]-2-diazonio-2-(4-nitrophenyl)ethenolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=[NH2+])OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations