Geometry & MOs

Info

ID:	19947
PubChem CID:	575616
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-68.81
Dipole, Da:	4.18
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-nitroso-2-oxa-5-azatricyclo[4.3.1.03,7]dec-8-en-7-yl)-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1C2C=CC3(C1N(CC3O2)N=O)C4=CC5=C(C=C4C=O)OCO5

DOS

IR

Vibrations