Geometry & MOs

Info

ID:	5083
PubChem CID:	12562
Reduced:	NH3O3C4 (2)
Stoich.:	AB3C3D4 (2)
Weight, g/mol:	226.022586
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	5.77
IP(EA), eV:	-10.65(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dinitromethyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations