Geometry & MOs

Info

ID:	387243
PubChem CID:	134984548
Reduced:	F2H2N2C3O5 (1)
Stoich.:	A2B2C2D3E5 (1)
Weight, g/mol:	267.074287
ΔH_f, kcal/mol:	-131.29
Dipole, Da:	2.81
IP(EA), eV:	-11.79(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 4-O-methyl 2-nitrobutanedioate

Drug info:

PubChemData

Smile

C(C(=O)C([N+](=O)[O-])(F)F)[N+](=O)[O-]

DOS

IR

Vibrations