Geometry & MOs

Info

ID:	48584
PubChem CID:	11108719
Reduced:	NO3C6H6 (2)
Stoich.:	AB3C6D6 (2)
Weight, g/mol:	281.077361
ΔH_f, kcal/mol:	-113.59
Dipole, Da:	3.26
IP(EA), eV:	-10.65(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6Z)-6-[hydroxy(methoxy)methylidene]-9-methoxycarbonyl-1,4-dioxaspiro[4.5]deca-7,9-diene-8-diazonium

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations