Geometry & MOs

Info

ID:	387431
PubChem CID:	134985352
Reduced:	N5C9O12H13 (1)
Stoich.:	A5B9C12D13 (1)
Weight, g/mol:	410.092122
ΔH_f, kcal/mol:	-155.59
Dipole, Da:	6.32
IP(EA), eV:	-11.16(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-(acetyloxymethyl)-2-[2,2-dinitroethyl(nitro)amino]propyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)N(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations