Geometry & MOs

Info

ID:

6449

PubChem CID:

68635

Reduced:

ClNO4H14C20 (1)

Stoich.:

ABC4D14E20 (1)

Weight, g/mol:

367.061136

ΔHf, kcal/mol:

-63.78

Dipole, Da:

3.57

IP(EA), eV:

 -7.78(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene;chloride

Drug info:

PubChemData

Smile

C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]

DOS

IR

Vibrations