Geometry & MOs

Info

ID:	230403
PubChem CID:	87570801
Reduced:	N2O9H24C26 (1)
Stoich.:	A2B9C24D26 (1)
Weight, g/mol:	508.14818
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	3.68
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[1-(1,3-benzodioxol-5-yl)-1-nitrohexa-2,4-dienoxy]-1-nitrohexa-2,4-dienyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

C/C=C/C=C/C1(OC2=C(O1)C=CC(=C2)COCC3=CC4=C(OC(O4)([N+](=O)[O-])/C=C/C=C/C)C=C3)[N+](=O)[O-]

DOS

IR

Vibrations