Geometry & MOs

Info

ID:

1835

PubChem CID:

5154

Reduced:

NO4H14C20 (1)

Stoich.:

AB4C14D20 (1)

Weight, g/mol:

332.092283

ΔHf, kcal/mol:

-50.77

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.592593

Charge, e:

 1

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations