Geometry & MOs

Info

ID:	27702
PubChem CID:	823155
Reduced:	N4O6C11H12 (1)
Stoich.:	A4B6C11D12 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	-136.53
Dipole, Da:	3.01
IP(EA), eV:	-10.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5,11,13-trimethyl-2,4,6,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),4-triene-8,10,12-trione

Drug info:

PubChemData

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CN1C2=NC(=C(C(=C2C(=O)N(C1=O)C)OC)[N+](=O)[O-])OC

DOS

IR

Vibrations