Geometry & MOs

Info

ID:	148240
PubChem CID:	53787902
Reduced:	O4N5C15H15 (1)
Stoich.:	A4B5C15D15 (1)
Weight, g/mol:	249.102788
ΔH_f, kcal/mol:	43.44
Dipole, Da:	6.38
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-oxa-19-aza-3-azoniatetracyclo[10.7.0.03,10.013,18]nonadeca-1(12),2,4,8,10,13,15,17-octaene

Drug info:

PubChemData

Smile

CN1C=CC(=N1)OC(C2=CC=CC=C2[N+](=O)[O-])OC3=NN(C=C3)C

DOS

IR

Vibrations