Geometry & MOs

Info

ID:	217910
PubChem CID:	85088569
Reduced:	BrN2H7O8C14 (1)
Stoich.:	AB2C7D8E14 (1)
Weight, g/mol:	411.06953
ΔH_f, kcal/mol:	-51.93
Dipole, Da:	7.76
IP(EA), eV:	-9.78(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-15-methyl-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5,10-tetraen-14-one;iodide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=C(C(=O)C3=CC=C(O3)[N+](=O)[O-])Br)[N+](=O)[O-]

DOS

IR

Vibrations