Geometry & MOs

Info

ID:	401333
PubChem CID:	135050978
Reduced:	BrN4O4H11C16 (1)
Stoich.:	AB4C4D11E16 (1)
Weight, g/mol:	403.00419
ΔH_f, kcal/mol:	31.36
Dipole, Da:	4.36
IP(EA), eV:	-10.08(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[(4-bromobenzoyl)-methylamino]-2-hydroxy-1-(4-nitrophenyl)ethenediazonium

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC=C(C=C1)Br)/C(=C(/C2=CC=C(C=C2)[N+](=O)[O-])\[N+]#N)/[O-]

DOS

IR

Vibrations