Geometry & MOs

Info

ID:	9146
PubChem CID:	86507
Reduced:	C3N3H4O9 (2)
Stoich.:	A3B3C4D9 (2)
Weight, g/mol:	451.989507
ΔH_f, kcal/mol:	-181.98
Dipole, Da:	4.04
IP(EA), eV:	-11.81(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4,5,6-pentanitrooxyhexan-3-yl nitrate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations