Geometry & MOs

Info

ID:	2269
PubChem CID:	6518
Reduced:	N4C5H8O12 (1)
Stoich.:	A4B5C8D12 (1)
Weight, g/mol:	316.013872
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	0.33
IP(EA), eV:	-12.08(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations