Geometry & MOs

Info

ID:	338266
PubChem CID:	127258958
Reduced:	ClINH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	416.044013
ΔH_f, kcal/mol:	18.18
Dipole, Da:	4.27
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;sulfate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)I)C=C1N.Cl

DOS

IR

Vibrations