Geometry & MOs

Info

ID:	65
PubChem CID:	2047
Reduced:	N3O4H5C10 (1)
Stoich.:	A3B4C5D10 (1)
Weight, g/mol:	231.028006
ΔH_f, kcal/mol:	32.52
Dipole, Da:	3.36
IP(EA), eV:	-10.09(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(dihydroxyamino)-3,4-dioxocyclohexa-1,5-dien-1-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=O)C1=O)N(O)O)C=C(C#N)C#N

DOS

IR

Vibrations