Geometry & MOs

Info

ID:	401334
PubChem CID:	135050979
Reduced:	BrN4O4H12C16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	355.104245
ΔH_f, kcal/mol:	37.62
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.852185
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-hydroxy-2-[(4-methoxybenzoyl)-methylamino]-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