Geometry & MOs

Info

ID:	6621
PubChem CID:	69255
Reduced:	N2O6H8C9 (1)
Stoich.:	A2B6C8D9 (1)
Weight, g/mol:	240.038236
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	4.73
IP(EA), eV:	-11.71(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations