Geometry & MOs

Info

ID:	24219
PubChem CID:	608469
Reduced:	O2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	201.053826
ΔH_f, kcal/mol:	81.63
Dipole, Da:	4.86
IP(EA), eV:	-8.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-hydroxy-3-oxido-8,13-diaza-3-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene

Drug info:

PubChemData

Smile

C1=CC2=NC3=CC=CN(C3=C2[N+](=C1)[O-])O

DOS

IR

Vibrations