Geometry & MOs

Info

ID:	23137
PubChem CID:	602410
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	-134.18
Dipole, Da:	4.16
IP(EA), eV:	-9.83(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(16),12,14-triene

Drug info:

PubChemData

Smile

C1COCCOC2=C(C=CC=C2OCCO1)[N+](=O)[O-]

DOS

IR

Vibrations