Geometry & MOs

Info

ID:	5254
PubChem CID:	12840
Reduced:	NH5O5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	195.016772
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	5.3
IP(EA), eV:	-9.85(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]

DOS

IR

Vibrations