Geometry & MOs

Info

ID:	12675
PubChem CID:	143467
Reduced:	C4H4N4O7 (1)
Stoich.:	A4B4C4D7 (1)
Weight, g/mol:	220.007998
ΔH_f, kcal/mol:	-7.44
Dipole, Da:	2.37
IP(EA), eV:	-11.64(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate

Drug info:

PubChemData

Smile

C(C1=NON=C1CO[N+](=O)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations