Geometry & MOs

Info

ID:	147662
PubChem CID:	53787319
Reduced:	N5O6C12H15 (1)
Stoich.:	A5B6C12D15 (1)
Weight, g/mol:	148.000788
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	6.32
IP(EA), eV:	-9.86(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enediperoxoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NOC(=O)CCCCC(=N)N

DOS

IR

Vibrations