Geometry & MOs

Info

ID:	194842
PubChem CID:	78597271
Reduced:	ClN3O3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	342.160637
ΔH_f, kcal/mol:	62.47
Dipole, Da:	6.62
IP(EA), eV:	-8.68(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

14-(furan-2-yl)-3,15-diaza-13-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations