Geometry & MOs

Info

ID:	383683
PubChem CID:	134975545
Reduced:	BrNOH2C4 (2)
Stoich.:	ABCD2E4 (2)
Weight, g/mol:	137.023869
ΔH_f, kcal/mol:	39.23
Dipole, Da:	6.42
IP(EA), eV:	-9.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-2-ylideneoxidanium

Drug info:

PubChemData

Smile

C1=CNC2=C1C(=C(C=C2Br)Br)[N+](=O)[O-]

DOS

IR

Vibrations